2-(cyclopentylamino)-N-(2-methylquinolin-6-yl)pyridine-3-carboxamide

C21H22N4O — CID 166361415

IUPAC2-(cyclopentylamino)-N-(2-methylquinolin-6-yl)pyridine-3-carboxamide
SMILESCc1ccc2cc(NC(=O)c3cccnc3NC3CCCC3)ccc2n1
InChIInChI=1S/C21H22N4O/c1-14-8-9-15-13-17(10-11-19(15)23-14)25-21(26)18-7-4-12-22-20(18)24-16-5-2-3-6-16/h4,7-13,16H,2-3,5-6H2,1H3,(H,22,24)(H,25,26)
InChIKeyQENFJTYAYMIGRE-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.55
Rot. Bonds4

About 2-(cyclopentylamino)-N-(2-methylquinolin-6-yl)pyridine-3-carboxamide

2-(cyclopentylamino)-N-(2-methylquinolin-6-yl)pyridine-3-carboxamide (PubChem CID 166361415) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-(2-methylquinolin-6-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-(2-methylquinolin-6-yl)pyridine-3-carboxamide
PubChem CID166361415
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-(cyclopentylamino)-N-(2-methylquinolin-6-yl)pyridine-3-carboxamide
SMILESCc1ccc2cc(NC(=O)c3cccnc3NC3CCCC3)ccc2n1
InChIInChI=1S/C21H22N4O/c1-14-8-9-15-13-17(10-11-19(15)23-14)25-21(26)18-7-4-12-22-20(18)24-16-5-2-3-6-16/h4,7-13,16H,2-3,5-6H2,1H3,(H,22,24)(H,25,26)
InChIKeyQENFJTYAYMIGRE-UHFFFAOYSA-N
XLogP4.55
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-(2-methylquinolin-6-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(cyclopentylamino)-N-(2-methylquinolin-6-yl)pyridine-3-carboxamide (CID 166361415) is 2-(cyclopentylamino)-N-(2-methylquinolin-6-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-(2-methylquinolin-6-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(cyclopentylamino)-N-(2-methylquinolin-6-yl)pyridine-3-carboxamide is Cc1ccc2cc(NC(=O)c3cccnc3NC3CCCC3)ccc2n1.
What is the InChIKey of 2-(cyclopentylamino)-N-(2-methylquinolin-6-yl)pyridine-3-carboxamide?
The InChIKey is QENFJTYAYMIGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14-8-9-15-13-17(10-11-19(15)23-14)25-21(26)18-7-4-12-22-20(18)24-16-5-2-3-6-16/h4,7-13,16H,2-3,5-6H2,1H3,(H,22,24)(H,25,26).
What are the key properties of 2-(cyclopentylamino)-N-(2-methylquinolin-6-yl)pyridine-3-carboxamide?
2-(cyclopentylamino)-N-(2-methylquinolin-6-yl)pyridine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-(2-methylquinolin-6-yl)pyridine-3-carboxamide is sourced from PubChem (CID 166361415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).