5,7-diethyl-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridine-3-carboxamide;hydrochloride

C27H26ClN7O2 — CID 19093788

About 5,7-diethyl-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridine-3-carboxamide;hydrochloride

5,7-diethyl-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridine-3-carboxamide;hydrochloride (PubChem CID 19093788) has the molecular formula C27H26ClN7O2 and a molecular weight of 516.01 g/mol. Its IUPAC name is 5,7-diethyl-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridine-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 5,7-diethyl-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridine-3-carboxamide;hydrochloride
• PubChem CID: 19093788
• Molecular Formula: C27H26ClN7O2
• Molecular Weight: 516.01 g/mol
• Exact Mass: 515.18
• IUPAC Name: 5,7-diethyl-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridine-3-carboxamide;hydrochloride
• SMILES: CCc1cc2c(cc(C(N)=O)c(=O)n2Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(CC)n1.Cl
• InChI: InChI=1S/C27H25N7O2.ClH/c1-3-18-13-24-21(23(4-2)29-18)14-22(25(28)35)27(36)34(24)15-16-9-11-17(12-10-16)19-7-5-6-8-20(19)26-30-32-33-31-26;/h5-14H,3-4,15H2,1-2H3,(H2,28,35)(H,30,31,32,33);1H
• InChIKey: DXNMJPVMGNPVKQ-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 132.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.01
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5,7-diethyl-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridine-3-carboxamide;hydrochloride?

The IUPAC name of 5,7-diethyl-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridine-3-carboxamide;hydrochloride (CID 19093788) is 5,7-diethyl-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridine-3-carboxamide;hydrochloride.

What is the SMILES notation for 5,7-diethyl-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridine-3-carboxamide;hydrochloride?

The canonical SMILES for 5,7-diethyl-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridine-3-carboxamide;hydrochloride is CCc1cc2c(cc(C(N)=O)c(=O)n2Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(CC)n1.Cl.

What is the InChIKey of 5,7-diethyl-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridine-3-carboxamide;hydrochloride?

The InChIKey is DXNMJPVMGNPVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O2.ClH/c1-3-18-13-24-21(23(4-2)29-18)14-22(25(28)35)27(36)34(24)15-16-9-11-17(12-10-16)19-7-5-6-8-20(19)26-30-32-33-31-26;/h5-14H,3-4,15H2,1-2H3,(H2,28,35)(H,30,31,32,33);1H.

What are the key properties of 5,7-diethyl-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridine-3-carboxamide;hydrochloride?

5,7-diethyl-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridine-3-carboxamide;hydrochloride has a molecular weight of 516.01 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-diethyl-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 19093788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).