N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide

C22H27N5O — CID 112798367

IUPACN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCC(C)CC(NC(=O)c1cc(N2CCCC2)ccn1)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H27N5O/c1-15(2)13-19(21-24-17-7-3-4-8-18(17)25-21)26-22(28)20-14-16(9-10-23-20)27-11-5-6-12-27/h3-4,7-10,14-15,19H,5-6,11-13H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyWOCWCVSFSQETHT-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.08
Rot. Bonds6

About N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide

N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 112798367) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
PubChem CID112798367
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCC(C)CC(NC(=O)c1cc(N2CCCC2)ccn1)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H27N5O/c1-15(2)13-19(21-24-17-7-3-4-8-18(17)25-21)26-22(28)20-14-16(9-10-23-20)27-11-5-6-12-27/h3-4,7-10,14-15,19H,5-6,11-13H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyWOCWCVSFSQETHT-UHFFFAOYSA-N
XLogP4.08
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]pyridine-2-carboxamide
CID 41036697
(3R)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 94040496
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55430343
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 112820972
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1,5-dimethylpyrrole-2-carboxamide
CID 112802220
N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-methylsulfanylpyridine-3-carboxamide
CID 27448120
2-(2-aminoethyl)-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120640550
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4,5-dimethylthiophene-2-carboxamide
CID 112798359
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(tetrazol-1-yl)benzamide
CID 27448142
4-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 56910861
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-bromo-4-fluorobenzamide
CID 55430385
(2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]oxolane-2-carboxamide
CID 40939596

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide (CID 112798367) is N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide is CC(C)CC(NC(=O)c1cc(N2CCCC2)ccn1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The InChIKey is WOCWCVSFSQETHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-15(2)13-19(21-24-17-7-3-4-8-18(17)25-21)26-22(28)20-14-16(9-10-23-20)27-11-5-6-12-27/h3-4,7-10,14-15,19H,5-6,11-13H2,1-2H3,(H,24,25)(H,26,28).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide?
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.08, 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)-3-methylbutyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 112798367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).