N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide

C20H23N5O — CID 95772183

IUPACN-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cccnc1N1CCCC1)c1nc2ccccc2n1C
InChIInChI=1S/C20H23N5O/c1-14(18-23-16-9-3-4-10-17(16)24(18)2)22-20(26)15-8-7-11-21-19(15)25-12-5-6-13-25/h3-4,7-11,14H,5-6,12-13H2,1-2H3,(H,22,26)/t14-/m1/s1
InChIKeyFGFCIOHGEQIRDM-CQSZACIVSA-N
MW349.44 g/mol
LogP3.06
Rot. Bonds4

About N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide

N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 95772183) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID95772183
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cccnc1N1CCCC1)c1nc2ccccc2n1C
InChIInChI=1S/C20H23N5O/c1-14(18-23-16-9-3-4-10-17(16)24(18)2)22-20(26)15-8-7-11-21-19(15)25-12-5-6-13-25/h3-4,7-11,14H,5-6,12-13H2,1-2H3,(H,22,26)/t14-/m1/s1
InChIKeyFGFCIOHGEQIRDM-CQSZACIVSA-N
XLogP3.06
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-pyrrolidin-1-ylpyridine-3-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

2-acetyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 124608305
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
CID 95772173
N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 16966659
2,4-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 16967777
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 46599128
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
4-fluoro-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 751122
(2R)-4-methyl-2-[(2-piperidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid
CID 119363491
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 134025205
N-(1-hydroxybutan-2-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 110886372
2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751106
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide (CID 95772183) is N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide is C[C@@H](NC(=O)c1cccnc1N1CCCC1)c1nc2ccccc2n1C.
What is the InChIKey of N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is FGFCIOHGEQIRDM-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14(18-23-16-9-3-4-10-17(16)24(18)2)22-20(26)15-8-7-11-21-19(15)25-12-5-6-13-25/h3-4,7-11,14H,5-6,12-13H2,1-2H3,(H,22,26)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 95772183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).