2-[4-[3-[3-[(1-methylcyclopropyl)carbamoyl]-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

C29H25N3O4 — CID 56676640

IUPAC2-[4-[3-[3-[(1-methylcyclopropyl)carbamoyl]-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCC1(NC(=O)c2cn(-c3cccc(-c4ccc(C5CC5C(=O)O)cc4)c3)c3ncccc3c2=O)CC1
InChIInChI=1S/C29H25N3O4/c1-29(11-12-29)31-27(34)24-16-32(26-21(25(24)33)6-3-13-30-26)20-5-2-4-19(14-20)17-7-9-18(10-8-17)22-15-23(22)28(35)36/h2-10,13-14,16,22-23H,11-12,15H2,1H3,(H,31,34)(H,35,36)
InChIKeyHVYYDLJKIQKWSE-UHFFFAOYSA-N
MW479.54 g/mol
LogP4.52
Rot. Bonds6

About 2-[4-[3-[3-[(1-methylcyclopropyl)carbamoyl]-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

2-[4-[3-[3-[(1-methylcyclopropyl)carbamoyl]-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 56676640) has the molecular formula C29H25N3O4 and a molecular weight of 479.54 g/mol. Its IUPAC name is 2-[4-[3-[3-[(1-methylcyclopropyl)carbamoyl]-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-[3-[3-[(1-methylcyclopropyl)carbamoyl]-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
PubChem CID56676640
Molecular FormulaC29H25N3O4
Molecular Weight479.54 g/mol
Exact Mass479.18
IUPAC Name2-[4-[3-[3-[(1-methylcyclopropyl)carbamoyl]-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCC1(NC(=O)c2cn(-c3cccc(-c4ccc(C5CC5C(=O)O)cc4)c3)c3ncccc3c2=O)CC1
InChIInChI=1S/C29H25N3O4/c1-29(11-12-29)31-27(34)24-16-32(26-21(25(24)33)6-3-13-30-26)20-5-2-4-19(14-20)17-7-9-18(10-8-17)22-15-23(22)28(35)36/h2-10,13-14,16,22-23H,11-12,15H2,1H3,(H,31,34)(H,35,36)
InChIKeyHVYYDLJKIQKWSE-UHFFFAOYSA-N
XLogP4.52
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[3-[3-[(1-methylcyclopropyl)carbamoyl]-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid 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 2-[4-[3-[3-[(1-methylcyclopropyl)carbamoyl]-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[4-[3-[3-[(1-methylcyclopropyl)carbamoyl]-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (CID 56676640) is 2-[4-[3-[3-[(1-methylcyclopropyl)carbamoyl]-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[4-[3-[3-[(1-methylcyclopropyl)carbamoyl]-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[4-[3-[3-[(1-methylcyclopropyl)carbamoyl]-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is CC1(NC(=O)c2cn(-c3cccc(-c4ccc(C5CC5C(=O)O)cc4)c3)c3ncccc3c2=O)CC1.
What is the InChIKey of 2-[4-[3-[3-[(1-methylcyclopropyl)carbamoyl]-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is HVYYDLJKIQKWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O4/c1-29(11-12-29)31-27(34)24-16-32(26-21(25(24)33)6-3-13-30-26)20-5-2-4-19(14-20)17-7-9-18(10-8-17)22-15-23(22)28(35)36/h2-10,13-14,16,22-23H,11-12,15H2,1H3,(H,31,34)(H,35,36).
What are the key properties of 2-[4-[3-[3-[(1-methylcyclopropyl)carbamoyl]-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
2-[4-[3-[3-[(1-methylcyclopropyl)carbamoyl]-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 479.54 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[3-[(1-methylcyclopropyl)carbamoyl]-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 56676640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).