4-cyclopropyl-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide

C31H38N4O — CID 167074806

About 4-cyclopropyl-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide

4-cyclopropyl-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide (PubChem CID 167074806) has the molecular formula C31H38N4O and a molecular weight of 482.67 g/mol. Its IUPAC name is 4-cyclopropyl-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-cyclopropyl-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide
• PubChem CID: 167074806
• Molecular Formula: C31H38N4O
• Molecular Weight: 482.67 g/mol
• Exact Mass: 482.30
• IUPAC Name: 4-cyclopropyl-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide
• SMILES: CNc1cccc(-c2cccc(NC(=O)c3cc(C4CC4)c(CN4CCCC[C@H]4C)cn3)c2C)c1C
• InChI: InChI=1S/C31H38N4O/c1-20-9-5-6-16-35(20)19-24-18-33-30(17-27(24)23-14-15-23)31(36)34-29-13-8-11-26(22(29)3)25-10-7-12-28(32-4)21(25)2/h7-8,10-13,17-18,20,23,32H,5-6,9,14-16,19H2,1-4H3,(H,34,36)/t20-/m1/s1
• InChIKey: DKXORQCGMFQUIR-HXUWFJFHSA-N
• XLogP: 6.91
• TPSA: 57.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.67
LogP ≤ 5	6.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide?

The IUPAC name of 4-cyclopropyl-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide (CID 167074806) is 4-cyclopropyl-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide.

What is the SMILES notation for 4-cyclopropyl-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide?

The canonical SMILES for 4-cyclopropyl-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide is CNc1cccc(-c2cccc(NC(=O)c3cc(C4CC4)c(CN4CCCC[C@H]4C)cn3)c2C)c1C.

What is the InChIKey of 4-cyclopropyl-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide?

The InChIKey is DKXORQCGMFQUIR-HXUWFJFHSA-N. The full InChI is InChI=1S/C31H38N4O/c1-20-9-5-6-16-35(20)19-24-18-33-30(17-27(24)23-14-15-23)31(36)34-29-13-8-11-26(22(29)3)25-10-7-12-28(32-4)21(25)2/h7-8,10-13,17-18,20,23,32H,5-6,9,14-16,19H2,1-4H3,(H,34,36)/t20-/m1/s1.

What are the key properties of 4-cyclopropyl-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide?

4-cyclopropyl-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide has a molecular weight of 482.67 g/mol, XLogP of 6.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopropyl-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 167074806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).