N-[4-(cyclopentylcarbamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide

C27H24N4O2 — CID 55958082

IUPACN-[4-(cyclopentylcarbamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1
InChIInChI=1S/C27H24N4O2/c32-26(29-20-7-1-2-8-20)18-11-13-21(14-12-18)30-27(33)23-16-25(19-6-5-15-28-17-19)31-24-10-4-3-9-22(23)24/h3-6,9-17,20H,1-2,7-8H2,(H,29,32)(H,30,33)
InChIKeyOPNPOJZKKBZRCI-UHFFFAOYSA-N
MW436.52 g/mol
LogP5.22
Rot. Bonds5

About N-[4-(cyclopentylcarbamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide

N-[4-(cyclopentylcarbamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 55958082) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[4-(cyclopentylcarbamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopentylcarbamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID55958082
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC NameN-[4-(cyclopentylcarbamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1
InChIInChI=1S/C27H24N4O2/c32-26(29-20-7-1-2-8-20)18-11-13-21(14-12-18)30-27(33)23-16-25(19-6-5-15-28-17-19)31-24-10-4-3-9-22(23)24/h3-6,9-17,20H,1-2,7-8H2,(H,29,32)(H,30,33)
InChIKeyOPNPOJZKKBZRCI-UHFFFAOYSA-N
XLogP5.22
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39311131
N-(6-piperidin-1-yl-3-pyridinyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 24612164
N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 166268674
N-[6-(dimethylamino)-3-pyridinyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 30294376
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55619404
N-cyclopentyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 4232578
N-(1-pyrazin-2-ylpiperidin-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 119067566
2-pyridin-3-yl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoline-4-carboxamide
CID 46668985
N-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757634
N-(2-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39889991
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
N-naphthalen-1-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25180097

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopentylcarbamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[4-(cyclopentylcarbamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide (CID 55958082) is N-[4-(cyclopentylcarbamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[4-(cyclopentylcarbamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[4-(cyclopentylcarbamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide is O=C(NC1CCCC1)c1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1.
What is the InChIKey of N-[4-(cyclopentylcarbamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is OPNPOJZKKBZRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c32-26(29-20-7-1-2-8-20)18-11-13-21(14-12-18)30-27(33)23-16-25(19-6-5-15-28-17-19)31-24-10-4-3-9-22(23)24/h3-6,9-17,20H,1-2,7-8H2,(H,29,32)(H,30,33).
What are the key properties of N-[4-(cyclopentylcarbamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide?
N-[4-(cyclopentylcarbamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopentylcarbamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 55958082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).