(2-ethylpiperidin-1-yl)-[7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]methanone;hydrochloride

C24H29ClN4O — CID 146064028

About (2-ethylpiperidin-1-yl)-[7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]methanone;hydrochloride

(2-ethylpiperidin-1-yl)-[7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]methanone;hydrochloride (PubChem CID 146064028) has the molecular formula C24H29ClN4O and a molecular weight of 424.98 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]methanone;hydrochloride.

Molecular Properties

• Compound Name: (2-ethylpiperidin-1-yl)-[7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]methanone;hydrochloride
• PubChem CID: 146064028
• Molecular Formula: C24H29ClN4O
• Molecular Weight: 424.98 g/mol
• Exact Mass: 424.20
• IUPAC Name: (2-ethylpiperidin-1-yl)-[7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]methanone;hydrochloride
• SMILES: CCC1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)cc1.Cl
• InChI: InChI=1S/C24H28N4O.ClH/c1-4-19-7-5-6-14-28(19)24(29)21-15-25-23-20(13-10-17(3)26-23)22(21)27-18-11-8-16(2)9-12-18;/h8-13,15,19H,4-7,14H2,1-3H3,(H,25,26,27);1H
• InChIKey: MXQBZKIVZZDYGT-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.98
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]methanone;hydrochloride?

The IUPAC name of (2-ethylpiperidin-1-yl)-[7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]methanone;hydrochloride (CID 146064028) is (2-ethylpiperidin-1-yl)-[7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]methanone;hydrochloride.

What is the SMILES notation for (2-ethylpiperidin-1-yl)-[7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]methanone;hydrochloride?

The canonical SMILES for (2-ethylpiperidin-1-yl)-[7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]methanone;hydrochloride is CCC1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)cc1.Cl.

What is the InChIKey of (2-ethylpiperidin-1-yl)-[7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]methanone;hydrochloride?

The InChIKey is MXQBZKIVZZDYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O.ClH/c1-4-19-7-5-6-14-28(19)24(29)21-15-25-23-20(13-10-17(3)26-23)22(21)27-18-11-8-16(2)9-12-18;/h8-13,15,19H,4-7,14H2,1-3H3,(H,25,26,27);1H.

What are the key properties of (2-ethylpiperidin-1-yl)-[7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]methanone;hydrochloride?

(2-ethylpiperidin-1-yl)-[7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]methanone;hydrochloride has a molecular weight of 424.98 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2-ethylpiperidin-1-yl)-[7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]methanone;hydrochloride is sourced from PubChem (CID 146064028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).