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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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).