N-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide

C20H20N4O — CID 119388190

IUPACN-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NC1CCNCC1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C20H20N4O/c25-20(23-15-7-11-22-12-8-15)17-13-19(14-5-9-21-10-6-14)24-18-4-2-1-3-16(17)18/h1-6,9-10,13,15,22H,7-8,11-12H2,(H,23,25)
InChIKeyBCVSSCMLLJDLAB-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.78
Rot. Bonds3

About N-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide

N-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 119388190) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID119388190
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NC1CCNCC1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C20H20N4O/c25-20(23-15-7-11-22-12-8-15)17-13-19(14-5-9-21-10-6-14)24-18-4-2-1-3-16(17)18/h1-6,9-10,13,15,22H,7-8,11-12H2,(H,23,25)
InChIKeyBCVSSCMLLJDLAB-UHFFFAOYSA-N
XLogP2.78
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpiperidin-4-yl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride
CID 120598205
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 119457455
N-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide
CID 78767510
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 56569028
N-(2-piperazin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride
CID 119447141
N-(azepan-4-yl)-2-methylquinoline-4-carboxamide
CID 105058000
N-(4-aminocyclohexyl)-2-(4-fluorophenyl)quinoline-4-carboxamide;dihydrochloride
CID 119476850
[2-(cyclopropylamino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 23990884
N-cyclopropyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757672
[4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid
CID 69025406
N-cyclopentyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 4232578
2-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-4-carboxamide
CID 79689593

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide (CID 119388190) is N-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide is O=C(NC1CCNCC1)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is BCVSSCMLLJDLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(23-15-7-11-22-12-8-15)17-13-19(14-5-9-21-10-6-14)24-18-4-2-1-3-16(17)18/h1-6,9-10,13,15,22H,7-8,11-12H2,(H,23,25).
What are the key properties of N-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide?
N-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 119388190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).