2-hydroxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide

C17H19N3O3 — CID 136741983

IUPAC2-hydroxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide
SMILESCc1cc(=O)[nH]c(-c2cccc(NC(=O)C3CCCC3O)c2)n1
InChIInChI=1S/C17H19N3O3/c1-10-8-15(22)20-16(18-10)11-4-2-5-12(9-11)19-17(23)13-6-3-7-14(13)21/h2,4-5,8-9,13-14,21H,3,6-7H2,1H3,(H,19,23)(H,18,20,22)
InChIKeyYGUKONKPVJCNCY-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.84
Rot. Bonds3

About 2-hydroxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide

2-hydroxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide (PubChem CID 136741983) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-hydroxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide
PubChem CID136741983
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-hydroxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide
SMILESCc1cc(=O)[nH]c(-c2cccc(NC(=O)C3CCCC3O)c2)n1
InChIInChI=1S/C17H19N3O3/c1-10-8-15(22)20-16(18-10)11-4-2-5-12(9-11)19-17(23)13-6-3-7-14(13)21/h2,4-5,8-9,13-14,21H,3,6-7H2,1H3,(H,19,23)(H,18,20,22)
InChIKeyYGUKONKPVJCNCY-UHFFFAOYSA-N
XLogP1.84
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohexanecarboxamide
CID 136734003
(1S)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohex-3-ene-1-carboxamide
CID 136733997
cis-(1S,3R)-2,2-dimethyl-3-[[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 136887824
(2S,3S)-2-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 136804360
(6S)-3-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 136833032
1-(4-bromophenyl)sulfonyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]piperidine-4-carboxamide
CID 136876982
2,6-dimethoxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]benzamide
CID 136773095
N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 166261151
4,5-dimethyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]thiophene-2-carboxamide
CID 136731179
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 137094562
N-(3-acetylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013625
(3S)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]piperidine-3-carboxamide
CID 137168988

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-hydroxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide (CID 136741983) is 2-hydroxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-hydroxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-hydroxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide is Cc1cc(=O)[nH]c(-c2cccc(NC(=O)C3CCCC3O)c2)n1.
What is the InChIKey of 2-hydroxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is YGUKONKPVJCNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-10-8-15(22)20-16(18-10)11-4-2-5-12(9-11)19-17(23)13-6-3-7-14(13)21/h2,4-5,8-9,13-14,21H,3,6-7H2,1H3,(H,19,23)(H,18,20,22).
What are the key properties of 2-hydroxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide?
2-hydroxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 136741983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).