5-[4-(2-aminoethyl)-3,5-dimethylpyrazole-1-carbonyl]-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

C19H26N6O2 — CID 112529977

About 5-[4-(2-aminoethyl)-3,5-dimethylpyrazole-1-carbonyl]-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

5-[4-(2-aminoethyl)-3,5-dimethylpyrazole-1-carbonyl]-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (PubChem CID 112529977) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 5-[4-(2-aminoethyl)-3,5-dimethylpyrazole-1-carbonyl]-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-(2-aminoethyl)-3,5-dimethylpyrazole-1-carbonyl]-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
• PubChem CID: 112529977
• Molecular Formula: C19H26N6O2
• Molecular Weight: 370.46 g/mol
• Exact Mass: 370.21
• IUPAC Name: 5-[4-(2-aminoethyl)-3,5-dimethylpyrazole-1-carbonyl]-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
• SMILES: Cc1nn(C(=O)c2cncc3c2CCN(C(=O)N(C)C)C3)c(C)c1CCN
• InChI: InChI=1S/C19H26N6O2/c1-12-15(5-7-20)13(2)25(22-12)18(26)17-10-21-9-14-11-24(8-6-16(14)17)19(27)23(3)4/h9-10H,5-8,11,20H2,1-4H3
• InChIKey: ILQFKLYLELYJSW-UHFFFAOYSA-N
• XLogP: 1.12
• TPSA: 97.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.46
LogP ≤ 5	1.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-aminoethyl)-3,5-dimethylpyrazole-1-carbonyl]-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The IUPAC name of 5-[4-(2-aminoethyl)-3,5-dimethylpyrazole-1-carbonyl]-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (CID 112529977) is 5-[4-(2-aminoethyl)-3,5-dimethylpyrazole-1-carbonyl]-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.

What is the SMILES notation for 5-[4-(2-aminoethyl)-3,5-dimethylpyrazole-1-carbonyl]-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The canonical SMILES for 5-[4-(2-aminoethyl)-3,5-dimethylpyrazole-1-carbonyl]-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is Cc1nn(C(=O)c2cncc3c2CCN(C(=O)N(C)C)C3)c(C)c1CCN.

What is the InChIKey of 5-[4-(2-aminoethyl)-3,5-dimethylpyrazole-1-carbonyl]-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The InChIKey is ILQFKLYLELYJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-12-15(5-7-20)13(2)25(22-12)18(26)17-10-21-9-14-11-24(8-6-16(14)17)19(27)23(3)4/h9-10H,5-8,11,20H2,1-4H3.

What are the key properties of 5-[4-(2-aminoethyl)-3,5-dimethylpyrazole-1-carbonyl]-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

5-[4-(2-aminoethyl)-3,5-dimethylpyrazole-1-carbonyl]-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(2-aminoethyl)-3,5-dimethylpyrazole-1-carbonyl]-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 112529977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).