2-[methyl(naphthalene-1-carbonyl)amino]-N-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide

C32H28N4O3 — CID 140532372

About 2-[methyl(naphthalene-1-carbonyl)amino]-N-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide

2-[methyl(naphthalene-1-carbonyl)amino]-N-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 140532372) has the molecular formula C32H28N4O3 and a molecular weight of 516.60 g/mol. Its IUPAC name is 2-[methyl(naphthalene-1-carbonyl)amino]-N-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[methyl(naphthalene-1-carbonyl)amino]-N-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 140532372
• Molecular Formula: C32H28N4O3
• Molecular Weight: 516.60 g/mol
• Exact Mass: 516.22
• IUPAC Name: 2-[methyl(naphthalene-1-carbonyl)amino]-N-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CN(C(=O)c1cccc2ccccc12)c1nc2n(c1C(=O)Nc1ccc(Oc3ccccc3)cc1)CCCC2
• InChI: InChI=1S/C32H28N4O3/c1-35(32(38)27-15-9-11-22-10-5-6-14-26(22)27)30-29(36-21-8-7-16-28(36)34-30)31(37)33-23-17-19-25(20-18-23)39-24-12-3-2-4-13-24/h2-6,9-15,17-20H,7-8,16,21H2,1H3,(H,33,37)
• InChIKey: DEMALEOIQFTROZ-UHFFFAOYSA-N
• XLogP: 6.69
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.60
LogP ≤ 5	6.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(naphthalene-1-carbonyl)amino]-N-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 2-[methyl(naphthalene-1-carbonyl)amino]-N-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (CID 140532372) is 2-[methyl(naphthalene-1-carbonyl)amino]-N-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 2-[methyl(naphthalene-1-carbonyl)amino]-N-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 2-[methyl(naphthalene-1-carbonyl)amino]-N-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is CN(C(=O)c1cccc2ccccc12)c1nc2n(c1C(=O)Nc1ccc(Oc3ccccc3)cc1)CCCC2.

What is the InChIKey of 2-[methyl(naphthalene-1-carbonyl)amino]-N-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is DEMALEOIQFTROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4O3/c1-35(32(38)27-15-9-11-22-10-5-6-14-26(22)27)30-29(36-21-8-7-16-28(36)34-30)31(37)33-23-17-19-25(20-18-23)39-24-12-3-2-4-13-24/h2-6,9-15,17-20H,7-8,16,21H2,1H3,(H,33,37).

What are the key properties of 2-[methyl(naphthalene-1-carbonyl)amino]-N-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?

2-[methyl(naphthalene-1-carbonyl)amino]-N-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 516.60 g/mol, XLogP of 6.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl(naphthalene-1-carbonyl)amino]-N-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 140532372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).