N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide

C25H24N8O2 — CID 134557540

About N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide

N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide (PubChem CID 134557540) has the molecular formula C25H24N8O2 and a molecular weight of 468.52 g/mol. Its IUPAC name is N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
• PubChem CID: 134557540
• Molecular Formula: C25H24N8O2
• Molecular Weight: 468.52 g/mol
• Exact Mass: 468.20
• IUPAC Name: N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
• SMILES: C=CC(=O)N1CCCC(c2cn(-c3cccc(NC(=O)c4cccc(-c5ccn[nH]5)n4)c3)nn2)C1
• InChI: InChI=1S/C25H24N8O2/c1-2-24(34)32-13-5-6-17(15-32)23-16-33(31-30-23)19-8-3-7-18(14-19)27-25(35)22-10-4-9-20(28-22)21-11-12-26-29-21/h2-4,7-12,14,16-17H,1,5-6,13,15H2,(H,26,29)(H,27,35)
• InChIKey: TWRQFWSQHVLGLZ-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 121.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.52
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?

The IUPAC name of N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide (CID 134557540) is N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide.

What is the SMILES notation for N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?

The canonical SMILES for N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide is C=CC(=O)N1CCCC(c2cn(-c3cccc(NC(=O)c4cccc(-c5ccn[nH]5)n4)c3)nn2)C1.

What is the InChIKey of N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?

The InChIKey is TWRQFWSQHVLGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O2/c1-2-24(34)32-13-5-6-17(15-32)23-16-33(31-30-23)19-8-3-7-18(14-19)27-25(35)22-10-4-9-20(28-22)21-11-12-26-29-21/h2-4,7-12,14,16-17H,1,5-6,13,15H2,(H,26,29)(H,27,35).

What are the key properties of N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?

N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide has a molecular weight of 468.52 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 134557540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).