4-(6-cyclopropyl-3-pyridinyl)-N-[3-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide

C27H28N6O — CID 58103009

About 4-(6-cyclopropyl-3-pyridinyl)-N-[3-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide

4-(6-cyclopropyl-3-pyridinyl)-N-[3-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide (PubChem CID 58103009) has the molecular formula C27H28N6O and a molecular weight of 452.56 g/mol. Its IUPAC name is 4-(6-cyclopropyl-3-pyridinyl)-N-[3-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-(6-cyclopropyl-3-pyridinyl)-N-[3-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide
• PubChem CID: 58103009
• Molecular Formula: C27H28N6O
• Molecular Weight: 452.56 g/mol
• Exact Mass: 452.23
• IUPAC Name: 4-(6-cyclopropyl-3-pyridinyl)-N-[3-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide
• SMILES: CC(C)[C@H](C)n1cnnc1-c1cccc(NC(=O)c2cc(-c3ccc(C4CC4)nc3)ccn2)c1
• InChI: InChI=1S/C27H28N6O/c1-17(2)18(3)33-16-30-32-26(33)21-5-4-6-23(13-21)31-27(34)25-14-20(11-12-28-25)22-9-10-24(29-15-22)19-7-8-19/h4-6,9-19H,7-8H2,1-3H3,(H,31,34)/t18-/m0/s1
• InChIKey: FXNORAMBZTUWTL-SFHVURJKSA-N
• XLogP: 5.75
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.56
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(6-cyclopropyl-3-pyridinyl)-N-[3-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide?

The IUPAC name of 4-(6-cyclopropyl-3-pyridinyl)-N-[3-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide (CID 58103009) is 4-(6-cyclopropyl-3-pyridinyl)-N-[3-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide.

What is the SMILES notation for 4-(6-cyclopropyl-3-pyridinyl)-N-[3-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide?

The canonical SMILES for 4-(6-cyclopropyl-3-pyridinyl)-N-[3-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide is CC(C)[C@H](C)n1cnnc1-c1cccc(NC(=O)c2cc(-c3ccc(C4CC4)nc3)ccn2)c1.

What is the InChIKey of 4-(6-cyclopropyl-3-pyridinyl)-N-[3-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide?

The InChIKey is FXNORAMBZTUWTL-SFHVURJKSA-N. The full InChI is InChI=1S/C27H28N6O/c1-17(2)18(3)33-16-30-32-26(33)21-5-4-6-23(13-21)31-27(34)25-14-20(11-12-28-25)22-9-10-24(29-15-22)19-7-8-19/h4-6,9-19H,7-8H2,1-3H3,(H,31,34)/t18-/m0/s1.

What are the key properties of 4-(6-cyclopropyl-3-pyridinyl)-N-[3-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide?

4-(6-cyclopropyl-3-pyridinyl)-N-[3-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 5.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-cyclopropyl-3-pyridinyl)-N-[3-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 58103009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).