N-cyclopropyl-1-(3-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxamide

C18H15N3O3 — CID 58870012

IUPACN-cyclopropyl-1-(3-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cn(-c2cccc(O)c2)c2ncccc2c1=O
InChIInChI=1S/C18H15N3O3/c22-13-4-1-3-12(9-13)21-10-15(18(24)20-11-6-7-11)16(23)14-5-2-8-19-17(14)21/h1-5,8-11,22H,6-7H2,(H,20,24)
InChIKeyBFZNKNIOOKBIIC-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.98
Rot. Bonds3

About N-cyclopropyl-1-(3-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxamide

N-cyclopropyl-1-(3-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 58870012) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-cyclopropyl-1-(3-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(3-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID58870012
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC NameN-cyclopropyl-1-(3-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cn(-c2cccc(O)c2)c2ncccc2c1=O
InChIInChI=1S/C18H15N3O3/c22-13-4-1-3-12(9-13)21-10-15(18(24)20-11-6-7-11)16(23)14-5-2-8-19-17(14)21/h1-5,8-11,22H,6-7H2,(H,20,24)
InChIKeyBFZNKNIOOKBIIC-UHFFFAOYSA-N
XLogP1.98
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(3-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-(3-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxamide (CID 58870012) is N-cyclopropyl-1-(3-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(3-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(3-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxamide is O=C(NC1CC1)c1cn(-c2cccc(O)c2)c2ncccc2c1=O.
What is the InChIKey of N-cyclopropyl-1-(3-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is BFZNKNIOOKBIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c22-13-4-1-3-12(9-13)21-10-15(18(24)20-11-6-7-11)16(23)14-5-2-8-19-17(14)21/h1-5,8-11,22H,6-7H2,(H,20,24).
What are the key properties of N-cyclopropyl-1-(3-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
N-cyclopropyl-1-(3-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(3-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 58870012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).