2-[2-(2-piperidin-1-ylethylamino)-3-pyridinyl]-1H-benzimidazole-4-carboxamide

C20H24N6O — CID 23432939

IUPAC2-[2-(2-piperidin-1-ylethylamino)-3-pyridinyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3cccnc3NCCN3CCCCC3)nc12
InChIInChI=1S/C20H24N6O/c21-18(27)14-6-4-8-16-17(14)25-20(24-16)15-7-5-9-22-19(15)23-10-13-26-11-2-1-3-12-26/h4-9H,1-3,10-13H2,(H2,21,27)(H,22,23)(H,24,25)
InChIKeyYBQFXBAPCVOZIZ-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.62
Rot. Bonds6

About 2-[2-(2-piperidin-1-ylethylamino)-3-pyridinyl]-1H-benzimidazole-4-carboxamide

2-[2-(2-piperidin-1-ylethylamino)-3-pyridinyl]-1H-benzimidazole-4-carboxamide (PubChem CID 23432939) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[2-(2-piperidin-1-ylethylamino)-3-pyridinyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-(2-piperidin-1-ylethylamino)-3-pyridinyl]-1H-benzimidazole-4-carboxamide
PubChem CID23432939
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name2-[2-(2-piperidin-1-ylethylamino)-3-pyridinyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3cccnc3NCCN3CCCCC3)nc12
InChIInChI=1S/C20H24N6O/c21-18(27)14-6-4-8-16-17(14)25-20(24-16)15-7-5-9-22-19(15)23-10-13-26-11-2-1-3-12-26/h4-9H,1-3,10-13H2,(H2,21,27)(H,22,23)(H,24,25)
InChIKeyYBQFXBAPCVOZIZ-UHFFFAOYSA-N
XLogP2.62
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-pyrrolidin-1-ylethylamino)-4-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 23433115
3-(1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)pyridin-2-amine
CID 142652425
2-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 23433113
2-[6-[2-(4-methyl-1,4-diazepan-1-yl)ethylamino]-3-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 23433052
2-[3-(2-piperidin-1-ylethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 18676129
2-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxamide
CID 113234725
2-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 5274836
2-(2-methylphenyl)-1H-benzimidazole-4-carboxamide
CID 155676753
2-[6-[3-(4-methylpiperazin-1-yl)propoxy]-2-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 23432970
N-[2-(azepan-1-yl)ethyl]-3-chloropyridin-2-amine
CID 61241551
2-[2-(azepan-1-yl)ethylamino]pyridine-3-sulfonamide
CID 133351386
2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide
CID 121385112

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-piperidin-1-ylethylamino)-3-pyridinyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[2-(2-piperidin-1-ylethylamino)-3-pyridinyl]-1H-benzimidazole-4-carboxamide (CID 23432939) is 2-[2-(2-piperidin-1-ylethylamino)-3-pyridinyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[2-(2-piperidin-1-ylethylamino)-3-pyridinyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[2-(2-piperidin-1-ylethylamino)-3-pyridinyl]-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(-c3cccnc3NCCN3CCCCC3)nc12.
What is the InChIKey of 2-[2-(2-piperidin-1-ylethylamino)-3-pyridinyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is YBQFXBAPCVOZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c21-18(27)14-6-4-8-16-17(14)25-20(24-16)15-7-5-9-22-19(15)23-10-13-26-11-2-1-3-12-26/h4-9H,1-3,10-13H2,(H2,21,27)(H,22,23)(H,24,25).
What are the key properties of 2-[2-(2-piperidin-1-ylethylamino)-3-pyridinyl]-1H-benzimidazole-4-carboxamide?
2-[2-(2-piperidin-1-ylethylamino)-3-pyridinyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-piperidin-1-ylethylamino)-3-pyridinyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 23432939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).