1-[4-[[(2-aminocyclohexyl)amino]methyl]phenyl]pyridin-2-one

C18H23N3O — CID 69439256

IUPAC1-[4-[[(2-aminocyclohexyl)amino]methyl]phenyl]pyridin-2-one
SMILESNC1CCCCC1NCc1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C18H23N3O/c19-16-5-1-2-6-17(16)20-13-14-8-10-15(11-9-14)21-12-4-3-7-18(21)22/h3-4,7-12,16-17,20H,1-2,5-6,13,19H2
InChIKeyBZUSQVWSHFBNKP-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.20
Rot. Bonds4

About 1-[4-[[(2-aminocyclohexyl)amino]methyl]phenyl]pyridin-2-one

1-[4-[[(2-aminocyclohexyl)amino]methyl]phenyl]pyridin-2-one (PubChem CID 69439256) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[4-[[(2-aminocyclohexyl)amino]methyl]phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[4-[[(2-aminocyclohexyl)amino]methyl]phenyl]pyridin-2-one
PubChem CID69439256
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-[4-[[(2-aminocyclohexyl)amino]methyl]phenyl]pyridin-2-one
SMILESNC1CCCCC1NCc1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C18H23N3O/c19-16-5-1-2-6-17(16)20-13-14-8-10-15(11-9-14)21-12-4-3-7-18(21)22/h3-4,7-12,16-17,20H,1-2,5-6,13,19H2
InChIKeyBZUSQVWSHFBNKP-UHFFFAOYSA-N
XLogP2.20
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(2-oxo-1-pyridinyl)phenyl]methylamino]cyclohexane-1-carboxamide
CID 18453145
trans-(1S,2S)-2-N-[[4-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenyl]methyl]cyclohexane-1,2-diamine;tetrahydrochloride
CID 139241263
1-N-[(4-chlorophenyl)methyl]cyclopentane-1,2-diamine
CID 115117343
trans-(1R,2R)-2-N-[(4-trimethoxysilylphenyl)methyl]cyclohexane-1,2-diamine
CID 102179234
5-[[[(1S,2R)-2-aminocycloheptyl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167721235
trans-(1R,2R)-1-N,2-N-bis[(4-phenylphenyl)methyl]cyclohexane-1,2-diamine
CID 122225965
(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
3-aminocyclohexane-1,2-diol;3-(benzylamino)cyclohexane-1,2-diol;methane
CID 159287111
cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol
CID 129411683
N-[(4-pyrrol-1-ylphenyl)methyl]cycloheptanamine
CID 10754404
2-[(4-pyrazol-1-ylphenyl)methylamino]cyclohexan-1-ol
CID 60612400
N-[2-[(4-chlorobenzoyl)amino]cyclopentyl]-4-(2-oxo-1-pyridinyl)benzamide
CID 75027304

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(2-aminocyclohexyl)amino]methyl]phenyl]pyridin-2-one?
The IUPAC name of 1-[4-[[(2-aminocyclohexyl)amino]methyl]phenyl]pyridin-2-one (CID 69439256) is 1-[4-[[(2-aminocyclohexyl)amino]methyl]phenyl]pyridin-2-one.
What is the SMILES notation for 1-[4-[[(2-aminocyclohexyl)amino]methyl]phenyl]pyridin-2-one?
The canonical SMILES for 1-[4-[[(2-aminocyclohexyl)amino]methyl]phenyl]pyridin-2-one is NC1CCCCC1NCc1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of 1-[4-[[(2-aminocyclohexyl)amino]methyl]phenyl]pyridin-2-one?
The InChIKey is BZUSQVWSHFBNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c19-16-5-1-2-6-17(16)20-13-14-8-10-15(11-9-14)21-12-4-3-7-18(21)22/h3-4,7-12,16-17,20H,1-2,5-6,13,19H2.
What are the key properties of 1-[4-[[(2-aminocyclohexyl)amino]methyl]phenyl]pyridin-2-one?
1-[4-[[(2-aminocyclohexyl)amino]methyl]phenyl]pyridin-2-one has a molecular weight of 297.40 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(2-aminocyclohexyl)amino]methyl]phenyl]pyridin-2-one is sourced from PubChem (CID 69439256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).