6-[[2,2-dimethyl-3-(methylamino)propyl]amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide

C32H41N5O3 — CID 143672762

About 6-[[2,2-dimethyl-3-(methylamino)propyl]amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide

6-[[2,2-dimethyl-3-(methylamino)propyl]amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide (PubChem CID 143672762) has the molecular formula C32H41N5O3 and a molecular weight of 543.71 g/mol. Its IUPAC name is 6-[[2,2-dimethyl-3-(methylamino)propyl]amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[2,2-dimethyl-3-(methylamino)propyl]amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide
• PubChem CID: 143672762
• Molecular Formula: C32H41N5O3
• Molecular Weight: 543.71 g/mol
• Exact Mass: 543.32
• IUPAC Name: 6-[[2,2-dimethyl-3-(methylamino)propyl]amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide
• SMILES: CNCC(C)(C)CNc1ccc(C(=O)Nc2cc(C(=O)N3CCC(c4ccc(OC)cc4)CC3)ccc2C)cn1
• InChI: InChI=1S/C32H41N5O3/c1-22-6-7-25(31(39)37-16-14-24(15-17-37)23-8-11-27(40-5)12-9-23)18-28(22)36-30(38)26-10-13-29(34-19-26)35-21-32(2,3)20-33-4/h6-13,18-19,24,33H,14-17,20-21H2,1-5H3,(H,34,35)(H,36,38)
• InChIKey: HSMYACLDIKPVJD-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 95.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.71
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[[2,2-dimethyl-3-(methylamino)propyl]amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide?

The IUPAC name of 6-[[2,2-dimethyl-3-(methylamino)propyl]amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide (CID 143672762) is 6-[[2,2-dimethyl-3-(methylamino)propyl]amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[[2,2-dimethyl-3-(methylamino)propyl]amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide?

The canonical SMILES for 6-[[2,2-dimethyl-3-(methylamino)propyl]amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide is CNCC(C)(C)CNc1ccc(C(=O)Nc2cc(C(=O)N3CCC(c4ccc(OC)cc4)CC3)ccc2C)cn1.

What is the InChIKey of 6-[[2,2-dimethyl-3-(methylamino)propyl]amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide?

The InChIKey is HSMYACLDIKPVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N5O3/c1-22-6-7-25(31(39)37-16-14-24(15-17-37)23-8-11-27(40-5)12-9-23)18-28(22)36-30(38)26-10-13-29(34-19-26)35-21-32(2,3)20-33-4/h6-13,18-19,24,33H,14-17,20-21H2,1-5H3,(H,34,35)(H,36,38).

What are the key properties of 6-[[2,2-dimethyl-3-(methylamino)propyl]amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide?

6-[[2,2-dimethyl-3-(methylamino)propyl]amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide has a molecular weight of 543.71 g/mol, XLogP of 5.33, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2,2-dimethyl-3-(methylamino)propyl]amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 143672762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).