N-(1-pyrazin-2-ylpiperidin-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide

C24H22N6O — CID 119067566

IUPACN-(1-pyrazin-2-ylpiperidin-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NC1CCCN(c2cnccn2)C1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C24H22N6O/c31-24(28-18-6-4-12-30(16-18)23-15-26-10-11-27-23)20-13-22(17-5-3-9-25-14-17)29-21-8-2-1-7-19(20)21/h1-3,5,7-11,13-15,18H,4,6,12,16H2,(H,28,31)
InChIKeyRRTRFNFMNWGBCG-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.49
Rot. Bonds4

About N-(1-pyrazin-2-ylpiperidin-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide

N-(1-pyrazin-2-ylpiperidin-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 119067566) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is N-(1-pyrazin-2-ylpiperidin-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-pyrazin-2-ylpiperidin-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID119067566
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC NameN-(1-pyrazin-2-ylpiperidin-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NC1CCCN(c2cnccn2)C1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C24H22N6O/c31-24(28-18-6-4-12-30(16-18)23-15-26-10-11-27-23)20-13-22(17-5-3-9-25-14-17)29-21-8-2-1-7-19(20)21/h1-3,5,7-11,13-15,18H,4,6,12,16H2,(H,28,31)
InChIKeyRRTRFNFMNWGBCG-UHFFFAOYSA-N
XLogP3.49
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 166268674
N-[4-(cyclopentylcarbamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55958082
N-(6-piperidin-1-yl-3-pyridinyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 24612164
3-oxo-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4H-quinoxaline-2-carboxamide
CID 99932155
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]pyrazine-2-carboxamide
CID 91904766
(3-aminopiperidin-1-yl)-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 119380128
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
2-(1-methylimidazol-2-yl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
CID 126449446
N-cyclopentyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 4232578
(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 24612002
N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide
CID 99990589

Frequently Asked Questions

What is the IUPAC name of N-(1-pyrazin-2-ylpiperidin-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-(1-pyrazin-2-ylpiperidin-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide (CID 119067566) is N-(1-pyrazin-2-ylpiperidin-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(1-pyrazin-2-ylpiperidin-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-(1-pyrazin-2-ylpiperidin-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide is O=C(NC1CCCN(c2cnccn2)C1)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-(1-pyrazin-2-ylpiperidin-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is RRTRFNFMNWGBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c31-24(28-18-6-4-12-30(16-18)23-15-26-10-11-27-23)20-13-22(17-5-3-9-25-14-17)29-21-8-2-1-7-19(20)21/h1-3,5,7-11,13-15,18H,4,6,12,16H2,(H,28,31).
What are the key properties of N-(1-pyrazin-2-ylpiperidin-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide?
N-(1-pyrazin-2-ylpiperidin-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrazin-2-ylpiperidin-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 119067566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).