(4S)-2-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide

C19H17N5O2 — CID 94172494

IUPAC(4S)-2-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1C[C@H](C(=O)NCc2cccnc2-n2cccn2)c2ccccc2N1
InChIInChI=1S/C19H17N5O2/c25-17-11-15(14-6-1-2-7-16(14)23-17)19(26)21-12-13-5-3-8-20-18(13)24-10-4-9-22-24/h1-10,15H,11-12H2,(H,21,26)(H,23,25)/t15-/m0/s1
InChIKeySVKRCWXKPSOZIG-HNNXBMFYSA-N
MW347.38 g/mol
LogP2.01
Rot. Bonds4

About (4S)-2-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide

(4S)-2-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 94172494) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is (4S)-2-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4S)-2-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID94172494
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name(4S)-2-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1C[C@H](C(=O)NCc2cccnc2-n2cccn2)c2ccccc2N1
InChIInChI=1S/C19H17N5O2/c25-17-11-15(14-6-1-2-7-16(14)23-17)19(26)21-12-13-5-3-8-20-18(13)24-10-4-9-22-24/h1-10,15H,11-12H2,(H,21,26)(H,23,25)/t15-/m0/s1
InChIKeySVKRCWXKPSOZIG-HNNXBMFYSA-N
XLogP2.01
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4S)-2-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-7-fluoro-2-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51949084
N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanecarboxamide
CID 31968520
N-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42884361
(3R)-1-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3,4-dihydroisochromene-3-carboxamide
CID 31926300
(4R)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94022869
(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 120632731
(2S,3R)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 38431207
N-(2-acetamidoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110702913
N-(2-aminoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119384935
(4S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94017875
4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3H-phthalazine-1-carboxamide
CID 47029005
(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120632730

Frequently Asked Questions

What is the IUPAC name of (4S)-2-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4S)-2-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide (CID 94172494) is (4S)-2-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4S)-2-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4S)-2-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1C[C@H](C(=O)NCc2cccnc2-n2cccn2)c2ccccc2N1.
What is the InChIKey of (4S)-2-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is SVKRCWXKPSOZIG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H17N5O2/c25-17-11-15(14-6-1-2-7-16(14)23-17)19(26)21-12-13-5-3-8-20-18(13)24-10-4-9-22-24/h1-10,15H,11-12H2,(H,21,26)(H,23,25)/t15-/m0/s1.
What are the key properties of (4S)-2-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
(4S)-2-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 94172494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).