4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C16H17N3O3 — CID 54680309

IUPAC4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(NCc1cccnc1)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C16H17N3O3/c20-14-11-5-1-2-6-12(11)19-16(22)13(14)15(21)18-9-10-4-3-7-17-8-10/h3-4,7-8H,1-2,5-6,9H2,(H,18,21)(H2,19,20,22)
InChIKeyZNCNIEOPQBYXNK-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.28
Rot. Bonds3

About 4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 54680309) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID54680309
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(NCc1cccnc1)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C16H17N3O3/c20-14-11-5-1-2-6-12(11)19-16(22)13(14)15(21)18-9-10-4-3-7-17-8-10/h3-4,7-8H,1-2,5-6,9H2,(H,18,21)(H2,19,20,22)
InChIKeyZNCNIEOPQBYXNK-UHFFFAOYSA-N
XLogP1.28
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-hydroxy-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 126790226
2,4-dimethyl-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 136911249
2-amino-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 843554
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
2-[(4-chlorobenzoyl)amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1033202
N-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044237
5-oxo-5-[[3-(pyridin-3-ylmethylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]pentanoic acid
CID 17379597
1-phenyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 110374242
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
N-(pyridin-3-ylmethyl)carbamate
CID 19082872
4-hydroxy-2-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
CID 54706702

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 54680309) is 4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is O=C(NCc1cccnc1)c1c(O)c2c([nH]c1=O)CCCC2.
What is the InChIKey of 4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is ZNCNIEOPQBYXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-14-11-5-1-2-6-12(11)19-16(22)13(14)15(21)18-9-10-4-3-7-17-8-10/h3-4,7-8H,1-2,5-6,9H2,(H,18,21)(H2,19,20,22).
What are the key properties of 4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54680309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).