4-oxo-2-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide

C21H22N4O2 — CID 97153225

IUPAC4-oxo-2-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide
SMILESNC(=O)c1ccc2[nH]c(CN3CCCC[C@@H]3c3cccnc3)cc(=O)c2c1
InChIInChI=1S/C21H22N4O2/c22-21(27)14-6-7-18-17(10-14)20(26)11-16(24-18)13-25-9-2-1-5-19(25)15-4-3-8-23-12-15/h3-4,6-8,10-12,19H,1-2,5,9,13H2,(H2,22,27)(H,24,26)/t19-/m1/s1
InChIKeyXALWRBDWDFZDHT-LJQANCHMSA-N
MW362.43 g/mol
LogP2.75
Rot. Bonds4

About 4-oxo-2-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide

4-oxo-2-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide (PubChem CID 97153225) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-oxo-2-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name4-oxo-2-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide
PubChem CID97153225
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name4-oxo-2-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide
SMILESNC(=O)c1ccc2[nH]c(CN3CCCC[C@@H]3c3cccnc3)cc(=O)c2c1
InChIInChI=1S/C21H22N4O2/c22-21(27)14-6-7-18-17(10-14)20(26)11-16(24-18)13-25-9-2-1-5-19(25)15-4-3-8-23-12-15/h3-4,6-8,10-12,19H,1-2,5,9,13H2,(H2,22,27)(H,24,26)/t19-/m1/s1
InChIKeyXALWRBDWDFZDHT-LJQANCHMSA-N
XLogP2.75
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-2-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-1H-quinoline-6-carboxamide
CID 91833737
2-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide
CID 97133797
4-oxo-2-[[(3S)-3-phenylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide
CID 97148081
6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1H-pyridin-2-one
CID 171674206
3-[1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 154891173
3-(18F)fluoro-4-[4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy](18F)benzamide
CID 134819949
2-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 97138643
(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 39490617
2-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide;dihydrochloride
CID 154925023
(2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol
CID 6540981
3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine
CID 872932
2,4-diiodo-6-[(2-pyridin-3-ylpiperidin-1-yl)methyl]phenol
CID 2857406

Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide?
The IUPAC name of 4-oxo-2-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide (CID 97153225) is 4-oxo-2-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide.
What is the SMILES notation for 4-oxo-2-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide?
The canonical SMILES for 4-oxo-2-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide is NC(=O)c1ccc2[nH]c(CN3CCCC[C@@H]3c3cccnc3)cc(=O)c2c1.
What is the InChIKey of 4-oxo-2-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide?
The InChIKey is XALWRBDWDFZDHT-LJQANCHMSA-N. The full InChI is InChI=1S/C21H22N4O2/c22-21(27)14-6-7-18-17(10-14)20(26)11-16(24-18)13-25-9-2-1-5-19(25)15-4-3-8-23-12-15/h3-4,6-8,10-12,19H,1-2,5,9,13H2,(H2,22,27)(H,24,26)/t19-/m1/s1.
What are the key properties of 4-oxo-2-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide?
4-oxo-2-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide is sourced from PubChem (CID 97153225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).