4-oxo-1-phenyl-N-propan-2-yl-1,8-naphthyridine-3-carboxamide

C18H17N3O2 — CID 44588591

IUPAC4-oxo-1-phenyl-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cn(-c2ccccc2)c2ncccc2c1=O
InChIInChI=1S/C18H17N3O2/c1-12(2)20-18(23)15-11-21(13-7-4-3-5-8-13)17-14(16(15)22)9-6-10-19-17/h3-12H,1-2H3,(H,20,23)
InChIKeyPXPFJSNCLJMCOE-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.52
Rot. Bonds3

About 4-oxo-1-phenyl-N-propan-2-yl-1,8-naphthyridine-3-carboxamide

4-oxo-1-phenyl-N-propan-2-yl-1,8-naphthyridine-3-carboxamide (PubChem CID 44588591) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-oxo-1-phenyl-N-propan-2-yl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-1-phenyl-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
PubChem CID44588591
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-oxo-1-phenyl-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cn(-c2ccccc2)c2ncccc2c1=O
InChIInChI=1S/C18H17N3O2/c1-12(2)20-18(23)15-11-21(13-7-4-3-5-8-13)17-14(16(15)22)9-6-10-19-17/h3-12H,1-2H3,(H,20,23)
InChIKeyPXPFJSNCLJMCOE-UHFFFAOYSA-N
XLogP2.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-phenyl-N-propan-2-yl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 4-oxo-1-phenyl-N-propan-2-yl-1,8-naphthyridine-3-carboxamide (CID 44588591) is 4-oxo-1-phenyl-N-propan-2-yl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 4-oxo-1-phenyl-N-propan-2-yl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 4-oxo-1-phenyl-N-propan-2-yl-1,8-naphthyridine-3-carboxamide is CC(C)NC(=O)c1cn(-c2ccccc2)c2ncccc2c1=O.
What is the InChIKey of 4-oxo-1-phenyl-N-propan-2-yl-1,8-naphthyridine-3-carboxamide?
The InChIKey is PXPFJSNCLJMCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12(2)20-18(23)15-11-21(13-7-4-3-5-8-13)17-14(16(15)22)9-6-10-19-17/h3-12H,1-2H3,(H,20,23).
What are the key properties of 4-oxo-1-phenyl-N-propan-2-yl-1,8-naphthyridine-3-carboxamide?
4-oxo-1-phenyl-N-propan-2-yl-1,8-naphthyridine-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-phenyl-N-propan-2-yl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 44588591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).