N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide

C21H21N3O4 — CID 110166179

IUPACN-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide
SMILESCN(C(=O)c1cc2ccccc2[nH]c1=O)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O
InChIInChI=1S/C21H21N3O4/c1-24(17-8-9-18(19(17)25)28-14-6-4-10-22-12-14)21(27)15-11-13-5-2-3-7-16(13)23-20(15)26/h2-7,10-12,17-19,25H,8-9H2,1H3,(H,23,26)/t17-,18-,19-/m1/s1
InChIKeyHNUMTVQFNLNLOD-GUDVDZBRSA-N
MW379.42 g/mol
LogP1.97
Rot. Bonds4

About N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide

N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 110166179) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide
PubChem CID110166179
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide
SMILESCN(C(=O)c1cc2ccccc2[nH]c1=O)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O
InChIInChI=1S/C21H21N3O4/c1-24(17-8-9-18(19(17)25)28-14-6-4-10-22-12-14)21(27)15-11-13-5-2-3-7-16(13)23-20(15)26/h2-7,10-12,17-19,25H,8-9H2,1H3,(H,23,26)/t17-,18-,19-/m1/s1
InChIKeyHNUMTVQFNLNLOD-GUDVDZBRSA-N
XLogP1.97
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 110166183
N,N-dimethyl-2-oxo-1H-quinoline-3-carboxamide
CID 14117619
N-[(1R,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]-N-methylpyridazine-3-carboxamide
CID 110146597
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-thiophen-2-ylacetamide
CID 110125360
N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclohexyl]-N,2,4-trimethylpyrimidine-5-carboxamide
CID 110125744
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylpyridine-3-carboxamide
CID 110125246
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110125792
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
CID 110125801
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide
CID 110158799
N-[(1R,2S,3S)-3-(3-fluorophenoxy)-2-hydroxycyclohexyl]-N,4-dimethylpyrimidine-5-carboxamide
CID 110146827
N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide
CID 1390846
2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 4888416

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide (CID 110166179) is N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide is CN(C(=O)c1cc2ccccc2[nH]c1=O)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is HNUMTVQFNLNLOD-GUDVDZBRSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-24(17-8-9-18(19(17)25)28-14-6-4-10-22-12-14)21(27)15-11-13-5-2-3-7-16(13)23-20(15)26/h2-7,10-12,17-19,25H,8-9H2,1H3,(H,23,26)/t17-,18-,19-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 110166179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).