4-(6-cyclopropyl-3-pyridinyl)-N-[6-(hydrazinecarbonyl)-2-pyridinyl]pyridine-2-carboxamide;4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxylic acid;methyl 6-aminopyridine-2-carboxylate

C41H38N10O6 — CID 161472125

About 4-(6-cyclopropyl-3-pyridinyl)-N-[6-(hydrazinecarbonyl)-2-pyridinyl]pyridine-2-carboxamide;4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxylic acid;methyl 6-aminopyridine-2-carboxylate

4-(6-cyclopropyl-3-pyridinyl)-N-[6-(hydrazinecarbonyl)-2-pyridinyl]pyridine-2-carboxamide;4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxylic acid;methyl 6-aminopyridine-2-carboxylate (PubChem CID 161472125) has the molecular formula C41H38N10O6 and a molecular weight of 766.82 g/mol. Its IUPAC name is 4-(6-cyclopropyl-3-pyridinyl)-N-[6-(hydrazinecarbonyl)-2-pyridinyl]pyridine-2-carboxamide;4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxylic acid;methyl 6-aminopyridine-2-carboxylate.

Molecular Properties

• Compound Name: 4-(6-cyclopropyl-3-pyridinyl)-N-[6-(hydrazinecarbonyl)-2-pyridinyl]pyridine-2-carboxamide;4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxylic acid;methyl 6-aminopyridine-2-carboxylate
• PubChem CID: 161472125
• Molecular Formula: C41H38N10O6
• Molecular Weight: 766.82 g/mol
• Exact Mass: 766.30
• IUPAC Name: 4-(6-cyclopropyl-3-pyridinyl)-N-[6-(hydrazinecarbonyl)-2-pyridinyl]pyridine-2-carboxamide;4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxylic acid;methyl 6-aminopyridine-2-carboxylate
• SMILES: COC(=O)c1cccc(N)n1.NNC(=O)c1cccc(NC(=O)c2cc(-c3ccc(C4CC4)nc3)ccn2)n1.O=C(O)c1cc(-c2ccc(C3CC3)nc2)ccn1
• InChI: InChI=1S/C20H18N6O2.C14H12N2O2.C7H8N2O2/c21-26-20(28)16-2-1-3-18(24-16)25-19(27)17-10-13(8-9-22-17)14-6-7-15(23-11-14)12-4-5-12;17-14(18)13-7-10(5-6-15-13)11-3-4-12(16-8-11)9-1-2-9;1-11-7(10)5-3-2-4-6(8)9-5/h1-3,6-12H,4-5,21H2,(H,26,28)(H,24,25,27);3-9H,1-2H2,(H,17,18);2-4H,1H3,(H2,8,9)
• InChIKey: WDFRBQIMGBERHE-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 251.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	766.82
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(6-cyclopropyl-3-pyridinyl)-N-[6-(hydrazinecarbonyl)-2-pyridinyl]pyridine-2-carboxamide;4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxylic acid;methyl 6-aminopyridine-2-carboxylate?

The IUPAC name of 4-(6-cyclopropyl-3-pyridinyl)-N-[6-(hydrazinecarbonyl)-2-pyridinyl]pyridine-2-carboxamide;4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxylic acid;methyl 6-aminopyridine-2-carboxylate (CID 161472125) is 4-(6-cyclopropyl-3-pyridinyl)-N-[6-(hydrazinecarbonyl)-2-pyridinyl]pyridine-2-carboxamide;4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxylic acid;methyl 6-aminopyridine-2-carboxylate.

What is the SMILES notation for 4-(6-cyclopropyl-3-pyridinyl)-N-[6-(hydrazinecarbonyl)-2-pyridinyl]pyridine-2-carboxamide;4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxylic acid;methyl 6-aminopyridine-2-carboxylate?

The canonical SMILES for 4-(6-cyclopropyl-3-pyridinyl)-N-[6-(hydrazinecarbonyl)-2-pyridinyl]pyridine-2-carboxamide;4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxylic acid;methyl 6-aminopyridine-2-carboxylate is COC(=O)c1cccc(N)n1.NNC(=O)c1cccc(NC(=O)c2cc(-c3ccc(C4CC4)nc3)ccn2)n1.O=C(O)c1cc(-c2ccc(C3CC3)nc2)ccn1.

What is the InChIKey of 4-(6-cyclopropyl-3-pyridinyl)-N-[6-(hydrazinecarbonyl)-2-pyridinyl]pyridine-2-carboxamide;4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxylic acid;methyl 6-aminopyridine-2-carboxylate?

The InChIKey is WDFRBQIMGBERHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2.C14H12N2O2.C7H8N2O2/c21-26-20(28)16-2-1-3-18(24-16)25-19(27)17-10-13(8-9-22-17)14-6-7-15(23-11-14)12-4-5-12;17-14(18)13-7-10(5-6-15-13)11-3-4-12(16-8-11)9-1-2-9;1-11-7(10)5-3-2-4-6(8)9-5/h1-3,6-12H,4-5,21H2,(H,26,28)(H,24,25,27);3-9H,1-2H2,(H,17,18);2-4H,1H3,(H2,8,9).

What are the key properties of 4-(6-cyclopropyl-3-pyridinyl)-N-[6-(hydrazinecarbonyl)-2-pyridinyl]pyridine-2-carboxamide;4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxylic acid;methyl 6-aminopyridine-2-carboxylate?

4-(6-cyclopropyl-3-pyridinyl)-N-[6-(hydrazinecarbonyl)-2-pyridinyl]pyridine-2-carboxamide;4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxylic acid;methyl 6-aminopyridine-2-carboxylate has a molecular weight of 766.82 g/mol, XLogP of 5.44, 9 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-cyclopropyl-3-pyridinyl)-N-[6-(hydrazinecarbonyl)-2-pyridinyl]pyridine-2-carboxamide;4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxylic acid;methyl 6-aminopyridine-2-carboxylate is sourced from PubChem (CID 161472125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).