7-[3-[(3-propan-2-ylphenyl)carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid

C25H25N3O3 — CID 71736502

IUPAC7-[3-[(3-propan-2-ylphenyl)carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESCC(C)c1cccc(NC(=O)c2cccc(N3CCc4c(cncc4C(=O)O)C3)c2)c1
InChIInChI=1S/C25H25N3O3/c1-16(2)17-5-3-7-20(11-17)27-24(29)18-6-4-8-21(12-18)28-10-9-22-19(15-28)13-26-14-23(22)25(30)31/h3-8,11-14,16H,9-10,15H2,1-2H3,(H,27,29)(H,30,31)
InChIKeyPDGAZDOEDKXTCY-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.72
Rot. Bonds5

About 7-[3-[(3-propan-2-ylphenyl)carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid

7-[3-[(3-propan-2-ylphenyl)carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (PubChem CID 71736502) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 7-[3-[(3-propan-2-ylphenyl)carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.

Molecular Properties

Compound Name7-[3-[(3-propan-2-ylphenyl)carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
PubChem CID71736502
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name7-[3-[(3-propan-2-ylphenyl)carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESCC(C)c1cccc(NC(=O)c2cccc(N3CCc4c(cncc4C(=O)O)C3)c2)c1
InChIInChI=1S/C25H25N3O3/c1-16(2)17-5-3-7-20(11-17)27-24(29)18-6-4-8-21(12-18)28-10-9-22-19(15-28)13-26-14-23(22)25(30)31/h3-8,11-14,16H,9-10,15H2,1-2H3,(H,27,29)(H,30,31)
InChIKeyPDGAZDOEDKXTCY-UHFFFAOYSA-N
XLogP4.72
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[(3-propan-2-ylphenyl)carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The IUPAC name of 7-[3-[(3-propan-2-ylphenyl)carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (CID 71736502) is 7-[3-[(3-propan-2-ylphenyl)carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.
What is the SMILES notation for 7-[3-[(3-propan-2-ylphenyl)carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The canonical SMILES for 7-[3-[(3-propan-2-ylphenyl)carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is CC(C)c1cccc(NC(=O)c2cccc(N3CCc4c(cncc4C(=O)O)C3)c2)c1.
What is the InChIKey of 7-[3-[(3-propan-2-ylphenyl)carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The InChIKey is PDGAZDOEDKXTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-16(2)17-5-3-7-20(11-17)27-24(29)18-6-4-8-21(12-18)28-10-9-22-19(15-28)13-26-14-23(22)25(30)31/h3-8,11-14,16H,9-10,15H2,1-2H3,(H,27,29)(H,30,31).
What are the key properties of 7-[3-[(3-propan-2-ylphenyl)carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
7-[3-[(3-propan-2-ylphenyl)carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid has a molecular weight of 415.49 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[(3-propan-2-ylphenyl)carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is sourced from PubChem (CID 71736502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).