N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

C100H96ClF4N21O7 — CID 160664968

IUPACN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)c(C(F)(F)F)c3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)c(Cl)c3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)c(F)c3)nc2)CC1.Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C#N)ccn1
InChIInChI=1S/C26H26F3N5O2.C25H26ClN5O2.C25H26FN5O2.C24H18N6O/c1-17-13-20(7-8-30-17)22-5-3-19(14-23(22)26(27,28)29)15-25(36)32-24-6-4-21(16-31-24)34-11-9-33(10-12-34)18(2)35;2*1-17-13-20(7-8-27-17)22-5-3-19(14-23(22)26)15-25(33)29-24-6-4-21(16-28-24)31-11-9-30(10-12-31)18(2)32;1-16-10-18(6-7-27-16)21-4-2-17(11-20(21)13-25)12-24(31)30-23-5-3-19(14-29-23)22-15-26-8-9-28-22/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,31,32,36);2*3-8,13-14,16H,9-12,15H2,1-2H3,(H,28,29,33);2-11,14-15H,12H2,1H3,(H,29,30,31)
InChIKeyRMEAFQIWLSZBRG-UHFFFAOYSA-N
MW1815.45 g/mol
LogP15.68
Rot. Bonds20

About N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 160664968) has the molecular formula C100H96ClF4N21O7 and a molecular weight of 1815.45 g/mol. Its IUPAC name is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID160664968
Molecular FormulaC100H96ClF4N21O7
Molecular Weight1815.45 g/mol
Exact Mass1813.74
IUPAC NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)c(C(F)(F)F)c3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)c(Cl)c3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)c(F)c3)nc2)CC1.Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C#N)ccn1
InChIInChI=1S/C26H26F3N5O2.C25H26ClN5O2.C25H26FN5O2.C24H18N6O/c1-17-13-20(7-8-30-17)22-5-3-19(14-23(22)26(27,28)29)15-25(36)32-24-6-4-21(16-31-24)34-11-9-33(10-12-34)18(2)35;2*1-17-13-20(7-8-27-17)22-5-3-19(14-23(22)26)15-25(33)29-24-6-4-21(16-28-24)31-11-9-30(10-12-31)18(2)32;1-16-10-18(6-7-27-16)21-4-2-17(11-20(21)13-25)12-24(31)30-23-5-3-19(14-29-23)22-15-26-8-9-28-22/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,31,32,36);2*3-8,13-14,16H,9-12,15H2,1-2H3,(H,28,29,33);2-11,14-15H,12H2,1H3,(H,29,30,31)
InChIKeyRMEAFQIWLSZBRG-UHFFFAOYSA-N
XLogP15.68
TPSA339.74 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001815.45
LogP ≤ 515.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide with MolForge

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Related Compounds

US10251893, Cpd 170
CID 58447875
2-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-[4-(2-chlorophenyl)-6-(dimethylamino)-3-pyridinyl]amino]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-piperazin-1-yl-3-pyridinyl]propanamide
CID 87940562
2-[4-[2-methyl-6-[6-methyl-4-[4-[2-oxo-2-[(5-phenylpyridin-2-yl)amino]ethyl]-2-(trifluoromethyl)phenyl]pyridin-2-yl]pyridin-4-yl]phenyl]-N-(5-pyridin-3-ylpyridin-2-yl)acetamide
CID 91473356
N-[1-[5-[[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-2,4-difluoro-3-pyridin-3-ylbenzamide
CID 118154820
[4-[2-Amino-5-[2-[4-[4-[4-[2-amino-5-[2-[4-[4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-3-fluorophenyl]-6-ethylpyrimidin-5-yl]ethynyl]-6-methyl-3-pyridinyl]piperidine-1-carbonyl]-3-chlorophenyl]-6-ethylpyrimidin-5-yl]ethynyl]-3-pyridinyl]piperidin-1-yl]-[4-[5-[2-(6-amino-2-methyl-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluorophenyl]methanone
CID 123896323
bis(N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide);N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-methylpropanamide;2,6-difluoro-N-[5-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[5-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-5-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-5-yl]-2-pyridinyl]benzamide
CID 123964060
ethane;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide;molecular hydrogen
CID 144049393
2-[1-[4-[(Z)-3-[(3S,5S)-4-[7-(2-amino-6-fluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3,5-dimethylpiperazin-1-yl]-3-oxoprop-1-enyl]-2-propan-2-ylphenyl]-6-chloro-4-[(2S)-4-[(Z)-3-[5-[4-[(2S,6S)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]-2-methylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorobenzonitrile
CID 146254472
Bis(7-(2-amino-3,5-dichloro-4-fluoro-6-methylphenyl)-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile);7-[2-amino-3,4,6-trifluoro-5-(trifluoromethyl)phenyl]-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile
CID 157194324
7-[2-Amino-3,4,6-trifluoro-5-(trifluoromethyl)phenyl]-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile
CID 157536850
4-[5-(1-acetamidoethyl)-3-chloro-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-(1-acetamidoethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-(acetamidomethyl)-3-chloro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-(acetamidomethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-(2-amino-2-oxoethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 157567710
N-[5-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-2-pyridinyl]-2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methylpyrimidin-4-yl)-3-(trifluoromethyl)phenyl]acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide
CID 157687768

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 160664968) is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)c(C(F)(F)F)c3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)c(Cl)c3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)c(F)c3)nc2)CC1.Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C#N)ccn1.
What is the InChIKey of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is RMEAFQIWLSZBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N5O2.C25H26ClN5O2.C25H26FN5O2.C24H18N6O/c1-17-13-20(7-8-30-17)22-5-3-19(14-23(22)26(27,28)29)15-25(36)32-24-6-4-21(16-31-24)34-11-9-33(10-12-34)18(2)35;2*1-17-13-20(7-8-27-17)22-5-3-19(14-23(22)26)15-25(33)29-24-6-4-21(16-28-24)31-11-9-30(10-12-31)18(2)32;1-16-10-18(6-7-27-16)21-4-2-17(11-20(21)13-25)12-24(31)30-23-5-3-19(14-29-23)22-15-26-8-9-28-22/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,31,32,36);2*3-8,13-14,16H,9-12,15H2,1-2H3,(H,28,29,33);2-11,14-15H,12H2,1H3,(H,29,30,31).
What are the key properties of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 1815.45 g/mol, XLogP of 15.68, 20 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-chloro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 160664968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).