1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(propan-2-ylamino)pyridin-2-one

C20H27N3O2 — CID 137457246

IUPAC1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1cccn(-c2ccc(CCN3CCOCC3)cc2)c1=O
InChIInChI=1S/C20H27N3O2/c1-16(2)21-19-4-3-10-23(20(19)24)18-7-5-17(6-8-18)9-11-22-12-14-25-15-13-22/h3-8,10,16,21H,9,11-15H2,1-2H3
InChIKeyHVNMPBOTCWOABB-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.53
Rot. Bonds6

About 1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(propan-2-ylamino)pyridin-2-one

1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(propan-2-ylamino)pyridin-2-one (PubChem CID 137457246) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(propan-2-ylamino)pyridin-2-one.

Molecular Properties

Compound Name1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(propan-2-ylamino)pyridin-2-one
PubChem CID137457246
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1cccn(-c2ccc(CCN3CCOCC3)cc2)c1=O
InChIInChI=1S/C20H27N3O2/c1-16(2)21-19-4-3-10-23(20(19)24)18-7-5-17(6-8-18)9-11-22-12-14-25-15-13-22/h3-8,10,16,21H,9,11-15H2,1-2H3
InChIKeyHVNMPBOTCWOABB-UHFFFAOYSA-N
XLogP2.53
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(propan-2-ylamino)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 1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(propan-2-ylamino)pyridin-2-one?
The IUPAC name of 1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(propan-2-ylamino)pyridin-2-one (CID 137457246) is 1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(propan-2-ylamino)pyridin-2-one.
What is the SMILES notation for 1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(propan-2-ylamino)pyridin-2-one?
The canonical SMILES for 1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(propan-2-ylamino)pyridin-2-one is CC(C)Nc1cccn(-c2ccc(CCN3CCOCC3)cc2)c1=O.
What is the InChIKey of 1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(propan-2-ylamino)pyridin-2-one?
The InChIKey is HVNMPBOTCWOABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-16(2)21-19-4-3-10-23(20(19)24)18-7-5-17(6-8-18)9-11-22-12-14-25-15-13-22/h3-8,10,16,21H,9,11-15H2,1-2H3.
What are the key properties of 1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(propan-2-ylamino)pyridin-2-one?
1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(propan-2-ylamino)pyridin-2-one has a molecular weight of 341.46 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(propan-2-ylamino)pyridin-2-one is sourced from PubChem (CID 137457246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).