5-cyclopropyl-1-methyl-3-[(4-phenylcyclohexyl)amino]pyridin-2-one

C21H26N2O — CID 146640616

IUPAC5-cyclopropyl-1-methyl-3-[(4-phenylcyclohexyl)amino]pyridin-2-one
SMILESCn1cc(C2CC2)cc(NC2CCC(c3ccccc3)CC2)c1=O
InChIInChI=1S/C21H26N2O/c1-23-14-18(17-7-8-17)13-20(21(23)24)22-19-11-9-16(10-12-19)15-5-3-2-4-6-15/h2-6,13-14,16-17,19,22H,7-12H2,1H3
InChIKeyWSABKWGZIGGUIB-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.40
Rot. Bonds4

About 5-cyclopropyl-1-methyl-3-[(4-phenylcyclohexyl)amino]pyridin-2-one

5-cyclopropyl-1-methyl-3-[(4-phenylcyclohexyl)amino]pyridin-2-one (PubChem CID 146640616) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 5-cyclopropyl-1-methyl-3-[(4-phenylcyclohexyl)amino]pyridin-2-one.

Molecular Properties

Compound Name5-cyclopropyl-1-methyl-3-[(4-phenylcyclohexyl)amino]pyridin-2-one
PubChem CID146640616
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name5-cyclopropyl-1-methyl-3-[(4-phenylcyclohexyl)amino]pyridin-2-one
SMILESCn1cc(C2CC2)cc(NC2CCC(c3ccccc3)CC2)c1=O
InChIInChI=1S/C21H26N2O/c1-23-14-18(17-7-8-17)13-20(21(23)24)22-19-11-9-16(10-12-19)15-5-3-2-4-6-15/h2-6,13-14,16-17,19,22H,7-12H2,1H3
InChIKeyWSABKWGZIGGUIB-UHFFFAOYSA-N
XLogP4.40
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-methyl-3-[(4-phenylcyclohexyl)amino]pyridin-2-one?
The IUPAC name of 5-cyclopropyl-1-methyl-3-[(4-phenylcyclohexyl)amino]pyridin-2-one (CID 146640616) is 5-cyclopropyl-1-methyl-3-[(4-phenylcyclohexyl)amino]pyridin-2-one.
What is the SMILES notation for 5-cyclopropyl-1-methyl-3-[(4-phenylcyclohexyl)amino]pyridin-2-one?
The canonical SMILES for 5-cyclopropyl-1-methyl-3-[(4-phenylcyclohexyl)amino]pyridin-2-one is Cn1cc(C2CC2)cc(NC2CCC(c3ccccc3)CC2)c1=O.
What is the InChIKey of 5-cyclopropyl-1-methyl-3-[(4-phenylcyclohexyl)amino]pyridin-2-one?
The InChIKey is WSABKWGZIGGUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-23-14-18(17-7-8-17)13-20(21(23)24)22-19-11-9-16(10-12-19)15-5-3-2-4-6-15/h2-6,13-14,16-17,19,22H,7-12H2,1H3.
What are the key properties of 5-cyclopropyl-1-methyl-3-[(4-phenylcyclohexyl)amino]pyridin-2-one?
5-cyclopropyl-1-methyl-3-[(4-phenylcyclohexyl)amino]pyridin-2-one has a molecular weight of 322.45 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-methyl-3-[(4-phenylcyclohexyl)amino]pyridin-2-one is sourced from PubChem (CID 146640616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).