6-[methyl-(1-methylpiperidin-4-yl)amino]-N-[2-methyl-5-[3-[4-(2-methylpyrazol-3-yl)phenyl]azetidine-1-carbonyl]phenyl]pyridine-3-carboxamide

C34H39N7O2 — CID 118143740

About 6-[methyl-(1-methylpiperidin-4-yl)amino]-N-[2-methyl-5-[3-[4-(2-methylpyrazol-3-yl)phenyl]azetidine-1-carbonyl]phenyl]pyridine-3-carboxamide

6-[methyl-(1-methylpiperidin-4-yl)amino]-N-[2-methyl-5-[3-[4-(2-methylpyrazol-3-yl)phenyl]azetidine-1-carbonyl]phenyl]pyridine-3-carboxamide (PubChem CID 118143740) has the molecular formula C34H39N7O2 and a molecular weight of 577.73 g/mol. Its IUPAC name is 6-[methyl-(1-methylpiperidin-4-yl)amino]-N-[2-methyl-5-[3-[4-(2-methylpyrazol-3-yl)phenyl]azetidine-1-carbonyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[methyl-(1-methylpiperidin-4-yl)amino]-N-[2-methyl-5-[3-[4-(2-methylpyrazol-3-yl)phenyl]azetidine-1-carbonyl]phenyl]pyridine-3-carboxamide
• PubChem CID: 118143740
• Molecular Formula: C34H39N7O2
• Molecular Weight: 577.73 g/mol
• Exact Mass: 577.32
• IUPAC Name: 6-[methyl-(1-methylpiperidin-4-yl)amino]-N-[2-methyl-5-[3-[4-(2-methylpyrazol-3-yl)phenyl]azetidine-1-carbonyl]phenyl]pyridine-3-carboxamide
• SMILES: Cc1ccc(C(=O)N2CC(c3ccc(-c4ccnn4C)cc3)C2)cc1NC(=O)c1ccc(N(C)C2CCN(C)CC2)nc1
• InChI: InChI=1S/C34H39N7O2/c1-23-5-6-26(34(43)41-21-28(22-41)24-7-9-25(10-8-24)31-13-16-36-40(31)4)19-30(23)37-33(42)27-11-12-32(35-20-27)39(3)29-14-17-38(2)18-15-29/h5-13,16,19-20,28-29H,14-15,17-18,21-22H2,1-4H3,(H,37,42)
• InChIKey: DRSBIFPVBIWGFN-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 86.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.73
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-(1-methylpiperidin-4-yl)amino]-N-[2-methyl-5-[3-[4-(2-methylpyrazol-3-yl)phenyl]azetidine-1-carbonyl]phenyl]pyridine-3-carboxamide?

The IUPAC name of 6-[methyl-(1-methylpiperidin-4-yl)amino]-N-[2-methyl-5-[3-[4-(2-methylpyrazol-3-yl)phenyl]azetidine-1-carbonyl]phenyl]pyridine-3-carboxamide (CID 118143740) is 6-[methyl-(1-methylpiperidin-4-yl)amino]-N-[2-methyl-5-[3-[4-(2-methylpyrazol-3-yl)phenyl]azetidine-1-carbonyl]phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[methyl-(1-methylpiperidin-4-yl)amino]-N-[2-methyl-5-[3-[4-(2-methylpyrazol-3-yl)phenyl]azetidine-1-carbonyl]phenyl]pyridine-3-carboxamide?

The canonical SMILES for 6-[methyl-(1-methylpiperidin-4-yl)amino]-N-[2-methyl-5-[3-[4-(2-methylpyrazol-3-yl)phenyl]azetidine-1-carbonyl]phenyl]pyridine-3-carboxamide is Cc1ccc(C(=O)N2CC(c3ccc(-c4ccnn4C)cc3)C2)cc1NC(=O)c1ccc(N(C)C2CCN(C)CC2)nc1.

What is the InChIKey of 6-[methyl-(1-methylpiperidin-4-yl)amino]-N-[2-methyl-5-[3-[4-(2-methylpyrazol-3-yl)phenyl]azetidine-1-carbonyl]phenyl]pyridine-3-carboxamide?

The InChIKey is DRSBIFPVBIWGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N7O2/c1-23-5-6-26(34(43)41-21-28(22-41)24-7-9-25(10-8-24)31-13-16-36-40(31)4)19-30(23)37-33(42)27-11-12-32(35-20-27)39(3)29-14-17-38(2)18-15-29/h5-13,16,19-20,28-29H,14-15,17-18,21-22H2,1-4H3,(H,37,42).

What are the key properties of 6-[methyl-(1-methylpiperidin-4-yl)amino]-N-[2-methyl-5-[3-[4-(2-methylpyrazol-3-yl)phenyl]azetidine-1-carbonyl]phenyl]pyridine-3-carboxamide?

6-[methyl-(1-methylpiperidin-4-yl)amino]-N-[2-methyl-5-[3-[4-(2-methylpyrazol-3-yl)phenyl]azetidine-1-carbonyl]phenyl]pyridine-3-carboxamide has a molecular weight of 577.73 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[methyl-(1-methylpiperidin-4-yl)amino]-N-[2-methyl-5-[3-[4-(2-methylpyrazol-3-yl)phenyl]azetidine-1-carbonyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118143740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).