4-chloro-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methylpyridine-2-carboxamide;4-chloro-5-methylpyridine-2-carboxylic acid;6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridin-2-amine

C34H32Cl2N12O3 — CID 162213322

About 4-chloro-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methylpyridine-2-carboxamide;4-chloro-5-methylpyridine-2-carboxylic acid;6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridin-2-amine

4-chloro-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methylpyridine-2-carboxamide;4-chloro-5-methylpyridine-2-carboxylic acid;6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridin-2-amine (PubChem CID 162213322) has the molecular formula C34H32Cl2N12O3 and a molecular weight of 727.62 g/mol. Its IUPAC name is 4-chloro-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methylpyridine-2-carboxamide;4-chloro-5-methylpyridine-2-carboxylic acid;6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 4-chloro-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methylpyridine-2-carboxamide;4-chloro-5-methylpyridine-2-carboxylic acid;6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridin-2-amine
• PubChem CID: 162213322
• Molecular Formula: C34H32Cl2N12O3
• Molecular Weight: 727.62 g/mol
• Exact Mass: 726.21
• IUPAC Name: 4-chloro-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methylpyridine-2-carboxamide;4-chloro-5-methylpyridine-2-carboxylic acid;6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridin-2-amine
• SMILES: Cc1cnc(C(=O)Nc2cccc(-c3nncn3C3CC3)n2)cc1Cl.Cc1cnc(C(=O)O)cc1Cl.Nc1cccc(-c2nncn2C2CC2)n1
• InChI: InChI=1S/C17H15ClN6O.C10H11N5.C7H6ClNO2/c1-10-8-19-14(7-12(10)18)17(25)22-15-4-2-3-13(21-15)16-23-20-9-24(16)11-5-6-11;11-9-3-1-2-8(13-9)10-14-12-6-15(10)7-4-5-7;1-4-3-9-6(7(10)11)2-5(4)8/h2-4,7-9,11H,5-6H2,1H3,(H,21,22,25);1-3,6-7H,4-5H2,(H2,11,13);2-3H,1H3,(H,10,11)
• InChIKey: ZTDLVCHMDJIKEW-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 205.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	727.62
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methylpyridine-2-carboxamide;4-chloro-5-methylpyridine-2-carboxylic acid;6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridin-2-amine?

The IUPAC name of 4-chloro-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methylpyridine-2-carboxamide;4-chloro-5-methylpyridine-2-carboxylic acid;6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridin-2-amine (CID 162213322) is 4-chloro-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methylpyridine-2-carboxamide;4-chloro-5-methylpyridine-2-carboxylic acid;6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridin-2-amine.

What is the SMILES notation for 4-chloro-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methylpyridine-2-carboxamide;4-chloro-5-methylpyridine-2-carboxylic acid;6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridin-2-amine?

The canonical SMILES for 4-chloro-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methylpyridine-2-carboxamide;4-chloro-5-methylpyridine-2-carboxylic acid;6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridin-2-amine is Cc1cnc(C(=O)Nc2cccc(-c3nncn3C3CC3)n2)cc1Cl.Cc1cnc(C(=O)O)cc1Cl.Nc1cccc(-c2nncn2C2CC2)n1.

What is the InChIKey of 4-chloro-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methylpyridine-2-carboxamide;4-chloro-5-methylpyridine-2-carboxylic acid;6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridin-2-amine?

The InChIKey is ZTDLVCHMDJIKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6O.C10H11N5.C7H6ClNO2/c1-10-8-19-14(7-12(10)18)17(25)22-15-4-2-3-13(21-15)16-23-20-9-24(16)11-5-6-11;11-9-3-1-2-8(13-9)10-14-12-6-15(10)7-4-5-7;1-4-3-9-6(7(10)11)2-5(4)8/h2-4,7-9,11H,5-6H2,1H3,(H,21,22,25);1-3,6-7H,4-5H2,(H2,11,13);2-3H,1H3,(H,10,11).

What are the key properties of 4-chloro-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methylpyridine-2-carboxamide;4-chloro-5-methylpyridine-2-carboxylic acid;6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridin-2-amine?

4-chloro-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methylpyridine-2-carboxamide;4-chloro-5-methylpyridine-2-carboxylic acid;6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridin-2-amine has a molecular weight of 727.62 g/mol, XLogP of 6.28, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methylpyridine-2-carboxamide;4-chloro-5-methylpyridine-2-carboxylic acid;6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 162213322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).