2-(cyclopentylamino)-N-(6-methyl-1H-benzimidazol-2-yl)pyridine-3-carboxamide

C19H21N5O — CID 167799599

IUPAC2-(cyclopentylamino)-N-(6-methyl-1H-benzimidazol-2-yl)pyridine-3-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cccnc3NC3CCCC3)[nH]c2c1
InChIInChI=1S/C19H21N5O/c1-12-8-9-15-16(11-12)23-19(22-15)24-18(25)14-7-4-10-20-17(14)21-13-5-2-3-6-13/h4,7-11,13H,2-3,5-6H2,1H3,(H,20,21)(H2,22,23,24,25)
InChIKeyKOJBWMVRTMIEPC-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.87
Rot. Bonds4

About 2-(cyclopentylamino)-N-(6-methyl-1H-benzimidazol-2-yl)pyridine-3-carboxamide

2-(cyclopentylamino)-N-(6-methyl-1H-benzimidazol-2-yl)pyridine-3-carboxamide (PubChem CID 167799599) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-(6-methyl-1H-benzimidazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-(6-methyl-1H-benzimidazol-2-yl)pyridine-3-carboxamide
PubChem CID167799599
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-(cyclopentylamino)-N-(6-methyl-1H-benzimidazol-2-yl)pyridine-3-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cccnc3NC3CCCC3)[nH]c2c1
InChIInChI=1S/C19H21N5O/c1-12-8-9-15-16(11-12)23-19(22-15)24-18(25)14-7-4-10-20-17(14)21-13-5-2-3-6-13/h4,7-11,13H,2-3,5-6H2,1H3,(H,20,21)(H2,22,23,24,25)
InChIKeyKOJBWMVRTMIEPC-UHFFFAOYSA-N
XLogP3.87
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-(6-methyl-1H-benzimidazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(cyclopentylamino)-N-(6-methyl-1H-benzimidazol-2-yl)pyridine-3-carboxamide (CID 167799599) is 2-(cyclopentylamino)-N-(6-methyl-1H-benzimidazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-(6-methyl-1H-benzimidazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(cyclopentylamino)-N-(6-methyl-1H-benzimidazol-2-yl)pyridine-3-carboxamide is Cc1ccc2nc(NC(=O)c3cccnc3NC3CCCC3)[nH]c2c1.
What is the InChIKey of 2-(cyclopentylamino)-N-(6-methyl-1H-benzimidazol-2-yl)pyridine-3-carboxamide?
The InChIKey is KOJBWMVRTMIEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-12-8-9-15-16(11-12)23-19(22-15)24-18(25)14-7-4-10-20-17(14)21-13-5-2-3-6-13/h4,7-11,13H,2-3,5-6H2,1H3,(H,20,21)(H2,22,23,24,25).
What are the key properties of 2-(cyclopentylamino)-N-(6-methyl-1H-benzimidazol-2-yl)pyridine-3-carboxamide?
2-(cyclopentylamino)-N-(6-methyl-1H-benzimidazol-2-yl)pyridine-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-(6-methyl-1H-benzimidazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 167799599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).