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

C29H31N5O2 — CID 68769480

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

N-[[4-(dimethylamino)phenyl]methyl]-2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 68769480) has the molecular formula C29H31N5O2 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(dimethylamino)phenyl]methyl]-2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 68769480
• Molecular Formula: C29H31N5O2
• Molecular Weight: 481.60 g/mol
• Exact Mass: 481.25
• IUPAC Name: N-[[4-(dimethylamino)phenyl]methyl]-2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CN(C)c1ccc(CNC(=O)c2c(N(C)C(=O)c3cccc4ccccc34)nc3n2CCCC3)cc1
• InChI: InChI=1S/C29H31N5O2/c1-32(2)22-16-14-20(15-17-22)19-30-28(35)26-27(31-25-13-6-7-18-34(25)26)33(3)29(36)24-12-8-10-21-9-4-5-11-23(21)24/h4-5,8-12,14-17H,6-7,13,18-19H2,1-3H3,(H,30,35)
• InChIKey: NFQGCJSEZYOOKU-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.60
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (CID 68769480) is N-[[4-(dimethylamino)phenyl]methyl]-2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.

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

The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is CN(C)c1ccc(CNC(=O)c2c(N(C)C(=O)c3cccc4ccccc34)nc3n2CCCC3)cc1.

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

The InChIKey is NFQGCJSEZYOOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O2/c1-32(2)22-16-14-20(15-17-22)19-30-28(35)26-27(31-25-13-6-7-18-34(25)26)33(3)29(36)24-12-8-10-21-9-4-5-11-23(21)24/h4-5,8-12,14-17H,6-7,13,18-19H2,1-3H3,(H,30,35).

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

N-[[4-(dimethylamino)phenyl]methyl]-2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(dimethylamino)phenyl]methyl]-2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 68769480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).