2-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-3-phenyl-1,6-naphthyridine-5-carboxylic acid

C30H29N3O4 — CID 58524920

IUPAC2-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-3-phenyl-1,6-naphthyridine-5-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1(c2ccc(-c3nc4ccnc(C(=O)O)c4cc3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C30H29N3O4/c1-29(2,3)37-28(36)33-30(15-7-16-30)21-12-10-20(11-13-21)25-22(19-8-5-4-6-9-19)18-23-24(32-25)14-17-31-26(23)27(34)35/h4-6,8-14,17-18H,7,15-16H2,1-3H3,(H,33,36)(H,34,35)
InChIKeyOBRMXFLPCGMGNO-UHFFFAOYSA-N
MW495.58 g/mol
LogP6.57
Rot. Bonds5

About 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-3-phenyl-1,6-naphthyridine-5-carboxylic acid

2-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-3-phenyl-1,6-naphthyridine-5-carboxylic acid (PubChem CID 58524920) has the molecular formula C30H29N3O4 and a molecular weight of 495.58 g/mol. Its IUPAC name is 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-3-phenyl-1,6-naphthyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-3-phenyl-1,6-naphthyridine-5-carboxylic acid
PubChem CID58524920
Molecular FormulaC30H29N3O4
Molecular Weight495.58 g/mol
Exact Mass495.22
IUPAC Name2-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-3-phenyl-1,6-naphthyridine-5-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1(c2ccc(-c3nc4ccnc(C(=O)O)c4cc3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C30H29N3O4/c1-29(2,3)37-28(36)33-30(15-7-16-30)21-12-10-20(11-13-21)25-22(19-8-5-4-6-9-19)18-23-24(32-25)14-17-31-26(23)27(34)35/h4-6,8-14,17-18H,7,15-16H2,1-3H3,(H,33,36)(H,34,35)
InChIKeyOBRMXFLPCGMGNO-UHFFFAOYSA-N
XLogP6.57
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.58
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-3-phenyl-1,6-naphthyridine-5-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-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-3-phenyl-1,6-naphthyridine-5-carboxylic acid?
The IUPAC name of 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-3-phenyl-1,6-naphthyridine-5-carboxylic acid (CID 58524920) is 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-3-phenyl-1,6-naphthyridine-5-carboxylic acid.
What is the SMILES notation for 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-3-phenyl-1,6-naphthyridine-5-carboxylic acid?
The canonical SMILES for 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-3-phenyl-1,6-naphthyridine-5-carboxylic acid is CC(C)(C)OC(=O)NC1(c2ccc(-c3nc4ccnc(C(=O)O)c4cc3-c3ccccc3)cc2)CCC1.
What is the InChIKey of 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-3-phenyl-1,6-naphthyridine-5-carboxylic acid?
The InChIKey is OBRMXFLPCGMGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O4/c1-29(2,3)37-28(36)33-30(15-7-16-30)21-12-10-20(11-13-21)25-22(19-8-5-4-6-9-19)18-23-24(32-25)14-17-31-26(23)27(34)35/h4-6,8-14,17-18H,7,15-16H2,1-3H3,(H,33,36)(H,34,35).
What are the key properties of 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-3-phenyl-1,6-naphthyridine-5-carboxylic acid?
2-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-3-phenyl-1,6-naphthyridine-5-carboxylic acid has a molecular weight of 495.58 g/mol, XLogP of 6.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-3-phenyl-1,6-naphthyridine-5-carboxylic acid is sourced from PubChem (CID 58524920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).