4-(cyclopentylamino)-3-(2-hydroxybenzenecarboximidoyl)-1H-pyridin-2-one;methane

C18H23N3O2 — CID 158692295

IUPAC4-(cyclopentylamino)-3-(2-hydroxybenzenecarboximidoyl)-1H-pyridin-2-one;methane
SMILESC.[H]/N=C(\c1ccccc1O)c1c(NC2CCCC2)cc[nH]c1=O
InChIInChI=1S/C17H19N3O2.CH4/c18-16(12-7-3-4-8-14(12)21)15-13(9-10-19-17(15)22)20-11-5-1-2-6-11;/h3-4,7-11,18,21H,1-2,5-6H2,(H2,19,20,22);1H4/b18-16+;
InChIKeyIGMSODXWGWYAIC-HYNBPGMHSA-N
MW313.40 g/mol
LogP3.49
Rot. Bonds4

About 4-(cyclopentylamino)-3-(2-hydroxybenzenecarboximidoyl)-1H-pyridin-2-one;methane

4-(cyclopentylamino)-3-(2-hydroxybenzenecarboximidoyl)-1H-pyridin-2-one;methane (PubChem CID 158692295) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-(cyclopentylamino)-3-(2-hydroxybenzenecarboximidoyl)-1H-pyridin-2-one;methane.

Molecular Properties

Compound Name4-(cyclopentylamino)-3-(2-hydroxybenzenecarboximidoyl)-1H-pyridin-2-one;methane
PubChem CID158692295
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-(cyclopentylamino)-3-(2-hydroxybenzenecarboximidoyl)-1H-pyridin-2-one;methane
SMILESC.[H]/N=C(\c1ccccc1O)c1c(NC2CCCC2)cc[nH]c1=O
InChIInChI=1S/C17H19N3O2.CH4/c18-16(12-7-3-4-8-14(12)21)15-13(9-10-19-17(15)22)20-11-5-1-2-6-11;/h3-4,7-11,18,21H,1-2,5-6H2,(H2,19,20,22);1H4/b18-16+;
InChIKeyIGMSODXWGWYAIC-HYNBPGMHSA-N
XLogP3.49
TPSA88.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl] hypofluorite
CID 136997319
4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carbonitrile
CID 136997255
azane;4-(oxan-4-ylamino)-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one;dihydrate
CID 162307433
N'-[4-(aminomethyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide
CID 137282187
4-(cyclohexylamino)-2-oxo-N'-[4-(2,2,2-trifluoroethyl)phenyl]-1H-pyridine-3-carboximidamide
CID 137152937
4-anilino-3-(4-sulfanylbenzenecarboximidoyl)-1H-pyridin-2-one;azane;dihydrate
CID 162327879
4-(cyclohexylamino)-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
CID 137282110
3-ethanimidoyl-4-hydroxy-1H-pyridin-2-one
CID 136967101
4-[[amino-[4-(cyclohexylamino)-2-oxo-1H-pyridin-3-yl]methylidene]amino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 137282068
N'-(4-chlorophenyl)-4-[(4-hydroxycyclohexyl)amino]-2-oxo-1H-pyridine-3-carboximidamide
CID 137282120
[amino-[4-(cyclohexylamino)-2-oxo-1H-pyridin-3-yl]methylidene]-[3-(imidazol-1-ylmethyl)phenyl]azanium
CID 144713190
4-(cyclohexylamino)-N'-[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]-2-oxo-1H-pyridine-3-carboximidamide;formonitrile
CID 144713176

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)-3-(2-hydroxybenzenecarboximidoyl)-1H-pyridin-2-one;methane?
The IUPAC name of 4-(cyclopentylamino)-3-(2-hydroxybenzenecarboximidoyl)-1H-pyridin-2-one;methane (CID 158692295) is 4-(cyclopentylamino)-3-(2-hydroxybenzenecarboximidoyl)-1H-pyridin-2-one;methane.
What is the SMILES notation for 4-(cyclopentylamino)-3-(2-hydroxybenzenecarboximidoyl)-1H-pyridin-2-one;methane?
The canonical SMILES for 4-(cyclopentylamino)-3-(2-hydroxybenzenecarboximidoyl)-1H-pyridin-2-one;methane is C.[H]/N=C(\c1ccccc1O)c1c(NC2CCCC2)cc[nH]c1=O.
What is the InChIKey of 4-(cyclopentylamino)-3-(2-hydroxybenzenecarboximidoyl)-1H-pyridin-2-one;methane?
The InChIKey is IGMSODXWGWYAIC-HYNBPGMHSA-N. The full InChI is InChI=1S/C17H19N3O2.CH4/c18-16(12-7-3-4-8-14(12)21)15-13(9-10-19-17(15)22)20-11-5-1-2-6-11;/h3-4,7-11,18,21H,1-2,5-6H2,(H2,19,20,22);1H4/b18-16+;.
What are the key properties of 4-(cyclopentylamino)-3-(2-hydroxybenzenecarboximidoyl)-1H-pyridin-2-one;methane?
4-(cyclopentylamino)-3-(2-hydroxybenzenecarboximidoyl)-1H-pyridin-2-one;methane has a molecular weight of 313.40 g/mol, XLogP of 3.49, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)-3-(2-hydroxybenzenecarboximidoyl)-1H-pyridin-2-one;methane is sourced from PubChem (CID 158692295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).