6-cyclopropyl-5-(hydroxymethyl)-N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]pyridine-2-carboxamide

C21H23N5O2 — CID 139360970

About 6-cyclopropyl-5-(hydroxymethyl)-N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]pyridine-2-carboxamide

6-cyclopropyl-5-(hydroxymethyl)-N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]pyridine-2-carboxamide (PubChem CID 139360970) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 6-cyclopropyl-5-(hydroxymethyl)-N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-5-(hydroxymethyl)-N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]pyridine-2-carboxamide
• PubChem CID: 139360970
• Molecular Formula: C21H23N5O2
• Molecular Weight: 377.45 g/mol
• Exact Mass: 377.19
• IUPAC Name: 6-cyclopropyl-5-(hydroxymethyl)-N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]pyridine-2-carboxamide
• SMILES: Cn1cnnc1CCc1cccc(NC(=O)c2ccc(CO)c(C3CC3)n2)c1
• InChI: InChI=1S/C21H23N5O2/c1-26-13-22-25-19(26)10-5-14-3-2-4-17(11-14)23-21(28)18-9-8-16(12-27)20(24-18)15-6-7-15/h2-4,8-9,11,13,15,27H,5-7,10,12H2,1H3,(H,23,28)
• InChIKey: GAXPKCZTJDPPKK-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 92.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.45
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-(hydroxymethyl)-N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]pyridine-2-carboxamide?

The IUPAC name of 6-cyclopropyl-5-(hydroxymethyl)-N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]pyridine-2-carboxamide (CID 139360970) is 6-cyclopropyl-5-(hydroxymethyl)-N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]pyridine-2-carboxamide.

What is the SMILES notation for 6-cyclopropyl-5-(hydroxymethyl)-N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]pyridine-2-carboxamide?

The canonical SMILES for 6-cyclopropyl-5-(hydroxymethyl)-N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]pyridine-2-carboxamide is Cn1cnnc1CCc1cccc(NC(=O)c2ccc(CO)c(C3CC3)n2)c1.

What is the InChIKey of 6-cyclopropyl-5-(hydroxymethyl)-N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]pyridine-2-carboxamide?

The InChIKey is GAXPKCZTJDPPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-26-13-22-25-19(26)10-5-14-3-2-4-17(11-14)23-21(28)18-9-8-16(12-27)20(24-18)15-6-7-15/h2-4,8-9,11,13,15,27H,5-7,10,12H2,1H3,(H,23,28).

What are the key properties of 6-cyclopropyl-5-(hydroxymethyl)-N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]pyridine-2-carboxamide?

6-cyclopropyl-5-(hydroxymethyl)-N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]pyridine-2-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-5-(hydroxymethyl)-N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 139360970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).