6-[4,6-dimethyl-5-[[(1S)-1-phenylethyl]carbamoyl]-2-pyridinyl]-2,4-dimethyl-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide

C32H34N4O2 — CID 11983110

About 6-[4,6-dimethyl-5-[[(1S)-1-phenylethyl]carbamoyl]-2-pyridinyl]-2,4-dimethyl-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide

6-[4,6-dimethyl-5-[[(1S)-1-phenylethyl]carbamoyl]-2-pyridinyl]-2,4-dimethyl-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide (PubChem CID 11983110) has the molecular formula C32H34N4O2 and a molecular weight of 506.65 g/mol. Its IUPAC name is 6-[4,6-dimethyl-5-[[(1S)-1-phenylethyl]carbamoyl]-2-pyridinyl]-2,4-dimethyl-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4,6-dimethyl-5-[[(1S)-1-phenylethyl]carbamoyl]-2-pyridinyl]-2,4-dimethyl-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
• PubChem CID: 11983110
• Molecular Formula: C32H34N4O2
• Molecular Weight: 506.65 g/mol
• Exact Mass: 506.27
• IUPAC Name: 6-[4,6-dimethyl-5-[[(1S)-1-phenylethyl]carbamoyl]-2-pyridinyl]-2,4-dimethyl-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
• SMILES: Cc1cc(-c2cc(C)c(C(=O)N[C@@H](C)c3ccccc3)c(C)n2)nc(C)c1C(=O)N[C@@H](C)c1ccccc1
• InChI: InChI=1S/C32H34N4O2/c1-19-17-27(33-23(5)29(19)31(37)35-21(3)25-13-9-7-10-14-25)28-18-20(2)30(24(6)34-28)32(38)36-22(4)26-15-11-8-12-16-26/h7-18,21-22H,1-6H3,(H,35,37)(H,36,38)/t21-,22-/m0/s1
• InChIKey: KMKWGFHSOTURKF-VXKWHMMOSA-N
• XLogP: 6.36
• TPSA: 83.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.65
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[4,6-dimethyl-5-[[(1S)-1-phenylethyl]carbamoyl]-2-pyridinyl]-2,4-dimethyl-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide?

The IUPAC name of 6-[4,6-dimethyl-5-[[(1S)-1-phenylethyl]carbamoyl]-2-pyridinyl]-2,4-dimethyl-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide (CID 11983110) is 6-[4,6-dimethyl-5-[[(1S)-1-phenylethyl]carbamoyl]-2-pyridinyl]-2,4-dimethyl-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[4,6-dimethyl-5-[[(1S)-1-phenylethyl]carbamoyl]-2-pyridinyl]-2,4-dimethyl-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide?

The canonical SMILES for 6-[4,6-dimethyl-5-[[(1S)-1-phenylethyl]carbamoyl]-2-pyridinyl]-2,4-dimethyl-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide is Cc1cc(-c2cc(C)c(C(=O)N[C@@H](C)c3ccccc3)c(C)n2)nc(C)c1C(=O)N[C@@H](C)c1ccccc1.

What is the InChIKey of 6-[4,6-dimethyl-5-[[(1S)-1-phenylethyl]carbamoyl]-2-pyridinyl]-2,4-dimethyl-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide?

The InChIKey is KMKWGFHSOTURKF-VXKWHMMOSA-N. The full InChI is InChI=1S/C32H34N4O2/c1-19-17-27(33-23(5)29(19)31(37)35-21(3)25-13-9-7-10-14-25)28-18-20(2)30(24(6)34-28)32(38)36-22(4)26-15-11-8-12-16-26/h7-18,21-22H,1-6H3,(H,35,37)(H,36,38)/t21-,22-/m0/s1.

What are the key properties of 6-[4,6-dimethyl-5-[[(1S)-1-phenylethyl]carbamoyl]-2-pyridinyl]-2,4-dimethyl-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide?

6-[4,6-dimethyl-5-[[(1S)-1-phenylethyl]carbamoyl]-2-pyridinyl]-2,4-dimethyl-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide has a molecular weight of 506.65 g/mol, XLogP of 6.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4,6-dimethyl-5-[[(1S)-1-phenylethyl]carbamoyl]-2-pyridinyl]-2,4-dimethyl-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 11983110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).