4-[4-(1-aminopropyl)cyclohexyl]-3-(difluoromethyl)-1H-pyridin-2-one

C15H22F2N2O — CID 146470829

IUPAC4-[4-(1-aminopropyl)cyclohexyl]-3-(difluoromethyl)-1H-pyridin-2-one
SMILESCCC(N)C1CCC(c2cc[nH]c(=O)c2C(F)F)CC1
InChIInChI=1S/C15H22F2N2O/c1-2-12(18)10-5-3-9(4-6-10)11-7-8-19-15(20)13(11)14(16)17/h7-10,12,14H,2-6,18H2,1H3,(H,19,20)
InChIKeyAYVZGKWCLITTGG-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.32
Rot. Bonds4

About 4-[4-(1-aminopropyl)cyclohexyl]-3-(difluoromethyl)-1H-pyridin-2-one

4-[4-(1-aminopropyl)cyclohexyl]-3-(difluoromethyl)-1H-pyridin-2-one (PubChem CID 146470829) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is 4-[4-(1-aminopropyl)cyclohexyl]-3-(difluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[4-(1-aminopropyl)cyclohexyl]-3-(difluoromethyl)-1H-pyridin-2-one
PubChem CID146470829
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name4-[4-(1-aminopropyl)cyclohexyl]-3-(difluoromethyl)-1H-pyridin-2-one
SMILESCCC(N)C1CCC(c2cc[nH]c(=O)c2C(F)F)CC1
InChIInChI=1S/C15H22F2N2O/c1-2-12(18)10-5-3-9(4-6-10)11-7-8-19-15(20)13(11)14(16)17/h7-10,12,14H,2-6,18H2,1H3,(H,19,20)
InChIKeyAYVZGKWCLITTGG-UHFFFAOYSA-N
XLogP3.32
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[4-(1-aminopropyl)cyclohexyl]-3-(difluoromethyl)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-aminopropyl)cyclohexyl]-3-(difluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-[4-(1-aminopropyl)cyclohexyl]-3-(difluoromethyl)-1H-pyridin-2-one (CID 146470829) is 4-[4-(1-aminopropyl)cyclohexyl]-3-(difluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-[4-(1-aminopropyl)cyclohexyl]-3-(difluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-[4-(1-aminopropyl)cyclohexyl]-3-(difluoromethyl)-1H-pyridin-2-one is CCC(N)C1CCC(c2cc[nH]c(=O)c2C(F)F)CC1.
What is the InChIKey of 4-[4-(1-aminopropyl)cyclohexyl]-3-(difluoromethyl)-1H-pyridin-2-one?
The InChIKey is AYVZGKWCLITTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-2-12(18)10-5-3-9(4-6-10)11-7-8-19-15(20)13(11)14(16)17/h7-10,12,14H,2-6,18H2,1H3,(H,19,20).
What are the key properties of 4-[4-(1-aminopropyl)cyclohexyl]-3-(difluoromethyl)-1H-pyridin-2-one?
4-[4-(1-aminopropyl)cyclohexyl]-3-(difluoromethyl)-1H-pyridin-2-one has a molecular weight of 284.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-aminopropyl)cyclohexyl]-3-(difluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 146470829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).