N-[2,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-ethylcyclopropanecarboxamide

C24H32N4O — CID 170243435

IUPACN-[2,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-ethylcyclopropanecarboxamide
SMILESCCN(C(=O)C1CC1)c1cc(-c2ccc(N3CCN(C)CC3)nc2)cc(C)c1C
InChIInChI=1S/C24H32N4O/c1-5-28(24(29)19-6-7-19)22-15-21(14-17(2)18(22)3)20-8-9-23(25-16-20)27-12-10-26(4)11-13-27/h8-9,14-16,19H,5-7,10-13H2,1-4H3
InChIKeyIVRTUIBUMFKSOL-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.88
Rot. Bonds5

About N-[2,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-ethylcyclopropanecarboxamide

N-[2,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-ethylcyclopropanecarboxamide (PubChem CID 170243435) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is N-[2,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-ethylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-ethylcyclopropanecarboxamide
PubChem CID170243435
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC NameN-[2,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-ethylcyclopropanecarboxamide
SMILESCCN(C(=O)C1CC1)c1cc(-c2ccc(N3CCN(C)CC3)nc2)cc(C)c1C
InChIInChI=1S/C24H32N4O/c1-5-28(24(29)19-6-7-19)22-15-21(14-17(2)18(22)3)20-8-9-23(25-16-20)27-12-10-26(4)11-13-27/h8-9,14-16,19H,5-7,10-13H2,1-4H3
InChIKeyIVRTUIBUMFKSOL-UHFFFAOYSA-N
XLogP3.88
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[3-formyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]cyclopentanecarboxamide
CID 170243339
N-[5-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]-2,3-dimethylphenyl]-N-ethylcyclopropanecarboxamide
CID 170243335
N-[2,3-dimethyl-5-(4-phenoxyphenyl)phenyl]-N-ethylcyclopentanecarboxamide
CID 170243588
3-[cyclopentanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]benzamide
CID 155489938
3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(4-morpholin-4-ylphenyl)benzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 159127685
1-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]ethanone
CID 22893150
3-[cyclopropanecarbonyl(ethyl)amino]-N-[[4-[[2-[[5-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylphenyl]-ethylcarbamoyl]cyclopropyl]methyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-2-methyl-5-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 135249083
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]benzamide
CID 90143771
2-[(4-ethylphenyl)methyl]-7-methyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]isoindol-1-ol
CID 90797033
4-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 102545588
3-[[[5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]isoquinolin-1-yl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one
CID 154623766
3-(cyclopropanecarbonylamino)-5-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-5-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide;3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]benzamide
CID 158336318

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-ethylcyclopropanecarboxamide?
The IUPAC name of N-[2,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-ethylcyclopropanecarboxamide (CID 170243435) is N-[2,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-ethylcyclopropanecarboxamide.
What is the SMILES notation for N-[2,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-ethylcyclopropanecarboxamide?
The canonical SMILES for N-[2,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-ethylcyclopropanecarboxamide is CCN(C(=O)C1CC1)c1cc(-c2ccc(N3CCN(C)CC3)nc2)cc(C)c1C.
What is the InChIKey of N-[2,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-ethylcyclopropanecarboxamide?
The InChIKey is IVRTUIBUMFKSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c1-5-28(24(29)19-6-7-19)22-15-21(14-17(2)18(22)3)20-8-9-23(25-16-20)27-12-10-26(4)11-13-27/h8-9,14-16,19H,5-7,10-13H2,1-4H3.
What are the key properties of N-[2,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-ethylcyclopropanecarboxamide?
N-[2,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-ethylcyclopropanecarboxamide has a molecular weight of 392.55 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-ethylcyclopropanecarboxamide is sourced from PubChem (CID 170243435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).