N-[6-methyl-5-[4-[5-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide

C29H32F3N9O — CID 70903006

About N-[6-methyl-5-[4-[5-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide

N-[6-methyl-5-[4-[5-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 70903006) has the molecular formula C29H32F3N9O and a molecular weight of 579.63 g/mol. Its IUPAC name is N-[6-methyl-5-[4-[5-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[6-methyl-5-[4-[5-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 70903006
• Molecular Formula: C29H32F3N9O
• Molecular Weight: 579.63 g/mol
• Exact Mass: 579.27
• IUPAC Name: N-[6-methyl-5-[4-[5-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: Cc1ncc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-n1cc(-c2cncc(N(C)C3CCN(C(C)C)CC3)c2)nn1
• InChI: InChI=1S/C29H32F3N9O/c1-18(2)40-9-6-23(7-10-40)39(4)24-11-20(14-33-16-24)26-17-41(38-37-26)27-13-22(15-35-19(27)3)36-28(42)25-12-21(5-8-34-25)29(30,31)32/h5,8,11-18,23H,6-7,9-10H2,1-4H3,(H,36,42)
• InChIKey: AFHSRIKTRFIELT-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 104.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.63
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-5-[4-[5-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide?

The IUPAC name of N-[6-methyl-5-[4-[5-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide (CID 70903006) is N-[6-methyl-5-[4-[5-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide.

What is the SMILES notation for N-[6-methyl-5-[4-[5-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide?

The canonical SMILES for N-[6-methyl-5-[4-[5-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide is Cc1ncc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-n1cc(-c2cncc(N(C)C3CCN(C(C)C)CC3)c2)nn1.

What is the InChIKey of N-[6-methyl-5-[4-[5-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide?

The InChIKey is AFHSRIKTRFIELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F3N9O/c1-18(2)40-9-6-23(7-10-40)39(4)24-11-20(14-33-16-24)26-17-41(38-37-26)27-13-22(15-35-19(27)3)36-28(42)25-12-21(5-8-34-25)29(30,31)32/h5,8,11-18,23H,6-7,9-10H2,1-4H3,(H,36,42).

What are the key properties of N-[6-methyl-5-[4-[5-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide?

N-[6-methyl-5-[4-[5-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 579.63 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-methyl-5-[4-[5-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 70903006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).