5-[[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-hydrazinyl-2-(methylamino)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-2-carboxamide

C22H25N9O3 — CID 170152655

About 5-[[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-hydrazinyl-2-(methylamino)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-2-carboxamide

5-[[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-hydrazinyl-2-(methylamino)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-2-carboxamide (PubChem CID 170152655) has the molecular formula C22H25N9O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is 5-[[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-hydrazinyl-2-(methylamino)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-hydrazinyl-2-(methylamino)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-2-carboxamide
• PubChem CID: 170152655
• Molecular Formula: C22H25N9O3
• Molecular Weight: 463.50 g/mol
• Exact Mass: 463.21
• IUPAC Name: 5-[[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-hydrazinyl-2-(methylamino)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-2-carboxamide
• SMILES: CNc1nc(Oc2cnc(C#N)cc2C)cc(Nc2ccc(C(=O)NCC(C)O)nc2)c1NN
• InChI: InChI=1S/C22H25N9O3/c1-12-6-15(8-23)26-11-18(12)34-19-7-17(20(31-24)21(25-3)30-19)29-14-4-5-16(27-10-14)22(33)28-9-13(2)32/h4-7,10-11,13,31-32H,9,24H2,1-3H3,(H,28,33)(H2,25,29,30)
• InChIKey: PFTWJAWVWCPGME-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 183.13 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	463.50
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-hydrazinyl-2-(methylamino)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-2-carboxamide?

The IUPAC name of 5-[[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-hydrazinyl-2-(methylamino)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-2-carboxamide (CID 170152655) is 5-[[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-hydrazinyl-2-(methylamino)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-2-carboxamide.

What is the SMILES notation for 5-[[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-hydrazinyl-2-(methylamino)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-2-carboxamide?

The canonical SMILES for 5-[[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-hydrazinyl-2-(methylamino)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-2-carboxamide is CNc1nc(Oc2cnc(C#N)cc2C)cc(Nc2ccc(C(=O)NCC(C)O)nc2)c1NN.

What is the InChIKey of 5-[[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-hydrazinyl-2-(methylamino)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-2-carboxamide?

The InChIKey is PFTWJAWVWCPGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N9O3/c1-12-6-15(8-23)26-11-18(12)34-19-7-17(20(31-24)21(25-3)30-19)29-14-4-5-16(27-10-14)22(33)28-9-13(2)32/h4-7,10-11,13,31-32H,9,24H2,1-3H3,(H,28,33)(H2,25,29,30).

What are the key properties of 5-[[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-hydrazinyl-2-(methylamino)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-2-carboxamide?

5-[[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-hydrazinyl-2-(methylamino)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-2-carboxamide has a molecular weight of 463.50 g/mol, XLogP of 2.03, 9 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-hydrazinyl-2-(methylamino)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-2-carboxamide is sourced from PubChem (CID 170152655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).