N-[3-[4-[[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]piperidin-1-yl]phenyl]pyridine-4-carboxamide

C27H30N6O — CID 125179634

IUPACN-[3-[4-[[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]piperidin-1-yl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc2nc([C@H](C)NC3CCN(c4cccc(NC(=O)c5ccncc5)c4)CC3)[nH]c2c1
InChIInChI=1S/C27H30N6O/c1-18-6-7-24-25(16-18)32-26(31-24)19(2)29-21-10-14-33(15-11-21)23-5-3-4-22(17-23)30-27(34)20-8-12-28-13-9-20/h3-9,12-13,16-17,19,21,29H,10-11,14-15H2,1-2H3,(H,30,34)(H,31,32)/t19-/m0/s1
InChIKeyYRFXKSAVVKKHLO-IBGZPJMESA-N
MW454.58 g/mol
LogP4.84
Rot. Bonds6

About N-[3-[4-[[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]piperidin-1-yl]phenyl]pyridine-4-carboxamide

N-[3-[4-[[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]piperidin-1-yl]phenyl]pyridine-4-carboxamide (PubChem CID 125179634) has the molecular formula C27H30N6O and a molecular weight of 454.58 g/mol. Its IUPAC name is N-[3-[4-[[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]piperidin-1-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]piperidin-1-yl]phenyl]pyridine-4-carboxamide
PubChem CID125179634
Molecular FormulaC27H30N6O
Molecular Weight454.58 g/mol
Exact Mass454.25
IUPAC NameN-[3-[4-[[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]piperidin-1-yl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc2nc([C@H](C)NC3CCN(c4cccc(NC(=O)c5ccncc5)c4)CC3)[nH]c2c1
InChIInChI=1S/C27H30N6O/c1-18-6-7-24-25(16-18)32-26(31-24)19(2)29-21-10-14-33(15-11-21)23-5-3-4-22(17-23)30-27(34)20-8-12-28-13-9-20/h3-9,12-13,16-17,19,21,29H,10-11,14-15H2,1-2H3,(H,30,34)(H,31,32)/t19-/m0/s1
InChIKeyYRFXKSAVVKKHLO-IBGZPJMESA-N
XLogP4.84
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[4-[[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]piperidin-1-yl]phenyl]pyridine-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

N-[4-[4-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]piperidin-1-yl]phenyl]-4-methoxybenzamide
CID 42318665
N-[3-[4-(1-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide
CID 45201861
N-[3-[4-(2,2-diphenylethylamino)piperidin-1-yl]phenyl]pyridine-4-carboxamide
CID 26335398
N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyridine-4-carboxamide
CID 95192585
2-methoxy-N-[3-[4-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]piperidin-1-yl]phenyl]benzamide
CID 42481674
N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide
CID 42433832
N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 126440928
2-(difluoromethyl)-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 56563825
N-[3-[[2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetyl]amino]phenyl]pyridine-4-carboxamide
CID 78861186
N-[3-[4-[2-[2-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide
CID 42405845
(2S,3S)-3-(1H-benzimidazol-2-yl)-2-methyl-N-[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]butanamide;sulfur dioxide
CID 165051063
3-methyl-N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 59655268

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]piperidin-1-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[4-[[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]piperidin-1-yl]phenyl]pyridine-4-carboxamide (CID 125179634) is N-[3-[4-[[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]piperidin-1-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[4-[[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]piperidin-1-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[4-[[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]piperidin-1-yl]phenyl]pyridine-4-carboxamide is Cc1ccc2nc([C@H](C)NC3CCN(c4cccc(NC(=O)c5ccncc5)c4)CC3)[nH]c2c1.
What is the InChIKey of N-[3-[4-[[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]piperidin-1-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is YRFXKSAVVKKHLO-IBGZPJMESA-N. The full InChI is InChI=1S/C27H30N6O/c1-18-6-7-24-25(16-18)32-26(31-24)19(2)29-21-10-14-33(15-11-21)23-5-3-4-22(17-23)30-27(34)20-8-12-28-13-9-20/h3-9,12-13,16-17,19,21,29H,10-11,14-15H2,1-2H3,(H,30,34)(H,31,32)/t19-/m0/s1.
What are the key properties of N-[3-[4-[[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]piperidin-1-yl]phenyl]pyridine-4-carboxamide?
N-[3-[4-[[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]piperidin-1-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 454.58 g/mol, XLogP of 4.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]piperidin-1-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 125179634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).