2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]methyl]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide

C34H39Cl2F3N6O2 — CID 58379280

IUPAC2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]methyl]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide
SMILESCC(C)N1CCC(CNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2N2CCCC(Cc3ccc(C(=O)C(F)(F)F)c(N)n3)C2)CC1
InChIInChI=1S/C34H39Cl2F3N6O2/c1-20(2)44-14-11-21(12-15-44)18-41-33(47)27-9-10-29(25-7-5-23(35)17-28(25)36)43-32(27)45-13-3-4-22(19-45)16-24-6-8-26(31(40)42-24)30(46)34(37,38)39/h5-10,17,20-22H,3-4,11-16,18-19H2,1-2H3,(H2,40,42)(H,41,47)
InChIKeyWBLOFIIONUUONX-UHFFFAOYSA-N
MW691.63 g/mol
LogP7.09
Rot. Bonds9

About 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]methyl]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide

2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]methyl]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 58379280) has the molecular formula C34H39Cl2F3N6O2 and a molecular weight of 691.63 g/mol. Its IUPAC name is 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]methyl]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]methyl]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide
PubChem CID58379280
Molecular FormulaC34H39Cl2F3N6O2
Molecular Weight691.63 g/mol
Exact Mass690.25
IUPAC Name2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]methyl]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide
SMILESCC(C)N1CCC(CNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2N2CCCC(Cc3ccc(C(=O)C(F)(F)F)c(N)n3)C2)CC1
InChIInChI=1S/C34H39Cl2F3N6O2/c1-20(2)44-14-11-21(12-15-44)18-41-33(47)27-9-10-29(25-7-5-23(35)17-28(25)36)43-32(27)45-13-3-4-22(19-45)16-24-6-8-26(31(40)42-24)30(46)34(37,38)39/h5-10,17,20-22H,3-4,11-16,18-19H2,1-2H3,(H2,40,42)(H,41,47)
InChIKeyWBLOFIIONUUONX-UHFFFAOYSA-N
XLogP7.09
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.63
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]methyl]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

[4-[[5-Chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-pyridin-3-ylmethanone
CID 70793948
N-[(1R)-1-[2-[4-[(2R)-3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-6-methyl-3-pyridinyl]-3-methylbutyl]-3-(dimethylamino)propanamide
CID 24740419
N-[[4-chloro-3-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-pyrido[2,3-d]pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide
CID 137169029
2-(2,4-dichlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 164610659
2-(2,6-dichlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 164611141
N-[2-(4-chlorophenyl)ethyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 2129287
(2-Chlorophenyl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098996
2-(4-Chlorophenyl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]ethanone
CID 119098998
2-(2-Chlorophenyl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]ethanone
CID 119099020
(3-Chlorophenyl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119099030
[2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)-3-pyridinyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 44456733
2-(1-(2,4-dichloro-5-fluorophenyl)ethylamino)-3-(4-fluorophenyl)-1,6-naphthyridin-5(6H)-one
CID 52942449

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]methyl]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]methyl]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide (CID 58379280) is 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]methyl]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]methyl]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]methyl]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide is CC(C)N1CCC(CNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2N2CCCC(Cc3ccc(C(=O)C(F)(F)F)c(N)n3)C2)CC1.
What is the InChIKey of 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]methyl]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is WBLOFIIONUUONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39Cl2F3N6O2/c1-20(2)44-14-11-21(12-15-44)18-41-33(47)27-9-10-29(25-7-5-23(35)17-28(25)36)43-32(27)45-13-3-4-22(19-45)16-24-6-8-26(31(40)42-24)30(46)34(37,38)39/h5-10,17,20-22H,3-4,11-16,18-19H2,1-2H3,(H2,40,42)(H,41,47).
What are the key properties of 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]methyl]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide?
2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]methyl]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 691.63 g/mol, XLogP of 7.09, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]methyl]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 58379280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).