2-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-N-[5-methyl-6-(4-propylpiperidin-1-yl)-3-pyridinyl]-2H-pyrrole-4-carboxamide

C28H35ClN4O — CID 160740626

IUPAC2-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-N-[5-methyl-6-(4-propylpiperidin-1-yl)-3-pyridinyl]-2H-pyrrole-4-carboxamide
SMILESCCCC1CCN(c2ncc(NC(=O)C3=C(C)C([C@H](C)c4ccc(Cl)cc4)N=C3)cc2C)CC1
InChIInChI=1S/C28H35ClN4O/c1-5-6-21-11-13-33(14-12-21)27-18(2)15-24(16-31-27)32-28(34)25-17-30-26(20(25)4)19(3)22-7-9-23(29)10-8-22/h7-10,15-17,19,21,26H,5-6,11-14H2,1-4H3,(H,32,34)/t19-,26?/m1/s1
InChIKeyRVNKUOSNBNGMLY-ICCFGIFFSA-N
MW479.07 g/mol
LogP6.57
Rot. Bonds7

About 2-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-N-[5-methyl-6-(4-propylpiperidin-1-yl)-3-pyridinyl]-2H-pyrrole-4-carboxamide

2-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-N-[5-methyl-6-(4-propylpiperidin-1-yl)-3-pyridinyl]-2H-pyrrole-4-carboxamide (PubChem CID 160740626) has the molecular formula C28H35ClN4O and a molecular weight of 479.07 g/mol. Its IUPAC name is 2-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-N-[5-methyl-6-(4-propylpiperidin-1-yl)-3-pyridinyl]-2H-pyrrole-4-carboxamide.

Molecular Properties

Compound Name2-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-N-[5-methyl-6-(4-propylpiperidin-1-yl)-3-pyridinyl]-2H-pyrrole-4-carboxamide
PubChem CID160740626
Molecular FormulaC28H35ClN4O
Molecular Weight479.07 g/mol
Exact Mass478.25
IUPAC Name2-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-N-[5-methyl-6-(4-propylpiperidin-1-yl)-3-pyridinyl]-2H-pyrrole-4-carboxamide
SMILESCCCC1CCN(c2ncc(NC(=O)C3=C(C)C([C@H](C)c4ccc(Cl)cc4)N=C3)cc2C)CC1
InChIInChI=1S/C28H35ClN4O/c1-5-6-21-11-13-33(14-12-21)27-18(2)15-24(16-31-27)32-28(34)25-17-30-26(20(25)4)19(3)22-7-9-23(29)10-8-22/h7-10,15-17,19,21,26H,5-6,11-14H2,1-4H3,(H,32,34)/t19-,26?/m1/s1
InChIKeyRVNKUOSNBNGMLY-ICCFGIFFSA-N
XLogP6.57
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.07
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-N-[5-methyl-6-(4-propylpiperidin-1-yl)-3-pyridinyl]-2H-pyrrole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-6-(4-propylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 55049889
2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-3-methyl-2-pyridinyl]piperidin-4-yl]acetic acid
CID 68684464
1-(4-chlorophenyl)-4-(hydroxymethyl)-N-[5-methyl-6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]pyrazole-3-carboxamide
CID 91312858
2-[1-[5-[[5-(3,4-difluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-3-methyl-2-pyridinyl]piperidin-4-yl]acetic acid
CID 68682101
methyl 2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]-2-oxoacetate
CID 141147647
[1-[5-[[4-(chloromethyl)-1-(4-chlorophenyl)pyrazole-3-carbonyl]amino]-3-methyl-2-pyridinyl]pyrrolidin-3-yl]-methylcarbamic acid
CID 67355969
1-(5-bromo-3-methyl-2-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 133359803
[5-methyl-6-(3-propylpyrrolidin-1-yl)-3-pyridinyl]methanol
CID 113418057
5-[(4-methylbenzoyl)amino]-2-[4-[methyl(3-propan-2-yloxypropyl)amino]piperidin-1-yl]pyridine-3-carboxylic acid
CID 83283318
5-acetamido-2-[4-[methyl(3-propan-2-yloxypropyl)amino]piperidin-1-yl]pyridine-3-carboxylic acid
CID 86769151
N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 79718239
1-chloro-4-[(2R)-1-[4-(4-propylcyclohexyl)cyclohexyl]propan-2-yl]benzene
CID 139753503

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-N-[5-methyl-6-(4-propylpiperidin-1-yl)-3-pyridinyl]-2H-pyrrole-4-carboxamide?
The IUPAC name of 2-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-N-[5-methyl-6-(4-propylpiperidin-1-yl)-3-pyridinyl]-2H-pyrrole-4-carboxamide (CID 160740626) is 2-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-N-[5-methyl-6-(4-propylpiperidin-1-yl)-3-pyridinyl]-2H-pyrrole-4-carboxamide.
What is the SMILES notation for 2-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-N-[5-methyl-6-(4-propylpiperidin-1-yl)-3-pyridinyl]-2H-pyrrole-4-carboxamide?
The canonical SMILES for 2-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-N-[5-methyl-6-(4-propylpiperidin-1-yl)-3-pyridinyl]-2H-pyrrole-4-carboxamide is CCCC1CCN(c2ncc(NC(=O)C3=C(C)C([C@H](C)c4ccc(Cl)cc4)N=C3)cc2C)CC1.
What is the InChIKey of 2-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-N-[5-methyl-6-(4-propylpiperidin-1-yl)-3-pyridinyl]-2H-pyrrole-4-carboxamide?
The InChIKey is RVNKUOSNBNGMLY-ICCFGIFFSA-N. The full InChI is InChI=1S/C28H35ClN4O/c1-5-6-21-11-13-33(14-12-21)27-18(2)15-24(16-31-27)32-28(34)25-17-30-26(20(25)4)19(3)22-7-9-23(29)10-8-22/h7-10,15-17,19,21,26H,5-6,11-14H2,1-4H3,(H,32,34)/t19-,26?/m1/s1.
What are the key properties of 2-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-N-[5-methyl-6-(4-propylpiperidin-1-yl)-3-pyridinyl]-2H-pyrrole-4-carboxamide?
2-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-N-[5-methyl-6-(4-propylpiperidin-1-yl)-3-pyridinyl]-2H-pyrrole-4-carboxamide has a molecular weight of 479.07 g/mol, XLogP of 6.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-N-[5-methyl-6-(4-propylpiperidin-1-yl)-3-pyridinyl]-2H-pyrrole-4-carboxamide is sourced from PubChem (CID 160740626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).