N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide

C24H29N5O2 — CID 146121702

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
SMILESCCC(C)C(NC(=O)C1CCN(C(=O)c2cccnc2)CC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H29N5O2/c1-3-16(2)21(22-26-19-8-4-5-9-20(19)27-22)28-23(30)17-10-13-29(14-11-17)24(31)18-7-6-12-25-15-18/h4-9,12,15-17,21H,3,10-11,13-14H2,1-2H3,(H,26,27)(H,28,30)
InChIKeyYABUYBPPALOMGC-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.71
Rot. Bonds6

About N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide

N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide (PubChem CID 146121702) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
PubChem CID146121702
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
SMILESCCC(C)C(NC(=O)C1CCN(C(=O)c2cccnc2)CC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H29N5O2/c1-3-16(2)21(22-26-19-8-4-5-9-20(19)27-22)28-23(30)17-10-13-29(14-11-17)24(31)18-7-6-12-25-15-18/h4-9,12,15-17,21H,3,10-11,13-14H2,1-2H3,(H,26,27)(H,28,30)
InChIKeyYABUYBPPALOMGC-UHFFFAOYSA-N
XLogP3.71
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(pyridine-3-carbonyl)piperidine-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-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 94494989
N-butan-2-yl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113002848
(4S)-N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-oxoimidazolidine-4-carboxamide
CID 97095652
2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 75495508
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 51939861
N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 91640158
tert-butyl 4-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]carbamoyl]piperidine-1-carboxylate
CID 39966598
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 30157421
1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide
CID 54794112
[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616
(3S)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-ethylpyrrolidine-1-carboxamide
CID 124589881
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 55344804

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide (CID 146121702) is N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide is CCC(C)C(NC(=O)C1CCN(C(=O)c2cccnc2)CC1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is YABUYBPPALOMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-3-16(2)21(22-26-19-8-4-5-9-20(19)27-22)28-23(30)17-10-13-29(14-11-17)24(31)18-7-6-12-25-15-18/h4-9,12,15-17,21H,3,10-11,13-14H2,1-2H3,(H,26,27)(H,28,30).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 146121702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).