3-[[4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxynaphthalene-2-carbonyl]amino]pyridine-2-carboxamide

C25H18N10O3 — CID 123643997

About 3-[[4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxynaphthalene-2-carbonyl]amino]pyridine-2-carboxamide

3-[[4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxynaphthalene-2-carbonyl]amino]pyridine-2-carboxamide (PubChem CID 123643997) has the molecular formula C25H18N10O3 and a molecular weight of 506.49 g/mol. Its IUPAC name is 3-[[4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxynaphthalene-2-carbonyl]amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[[4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxynaphthalene-2-carbonyl]amino]pyridine-2-carboxamide
• PubChem CID: 123643997
• Molecular Formula: C25H18N10O3
• Molecular Weight: 506.49 g/mol
• Exact Mass: 506.16
• IUPAC Name: 3-[[4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxynaphthalene-2-carbonyl]amino]pyridine-2-carboxamide
• SMILES: N#Cc1cnn(-c2ncccn2)c1NNc1c(O)c(C(=O)Nc2cccnc2C(N)=O)cc2ccccc12
• InChI: InChI=1S/C25H18N10O3/c26-12-15-13-31-35(25-29-9-4-10-30-25)23(15)34-33-19-16-6-2-1-5-14(16)11-17(21(19)36)24(38)32-18-7-3-8-28-20(18)22(27)37/h1-11,13,33-34,36H,(H2,27,37)(H,32,38)
• InChIKey: UNDUBPAXHSDDMT-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 196.76 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.49
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxynaphthalene-2-carbonyl]amino]pyridine-2-carboxamide?

The IUPAC name of 3-[[4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxynaphthalene-2-carbonyl]amino]pyridine-2-carboxamide (CID 123643997) is 3-[[4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxynaphthalene-2-carbonyl]amino]pyridine-2-carboxamide.

What is the SMILES notation for 3-[[4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxynaphthalene-2-carbonyl]amino]pyridine-2-carboxamide?

The canonical SMILES for 3-[[4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxynaphthalene-2-carbonyl]amino]pyridine-2-carboxamide is N#Cc1cnn(-c2ncccn2)c1NNc1c(O)c(C(=O)Nc2cccnc2C(N)=O)cc2ccccc12.

What is the InChIKey of 3-[[4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxynaphthalene-2-carbonyl]amino]pyridine-2-carboxamide?

The InChIKey is UNDUBPAXHSDDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N10O3/c26-12-15-13-31-35(25-29-9-4-10-30-25)23(15)34-33-19-16-6-2-1-5-14(16)11-17(21(19)36)24(38)32-18-7-3-8-28-20(18)22(27)37/h1-11,13,33-34,36H,(H2,27,37)(H,32,38).

What are the key properties of 3-[[4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxynaphthalene-2-carbonyl]amino]pyridine-2-carboxamide?

3-[[4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxynaphthalene-2-carbonyl]amino]pyridine-2-carboxamide has a molecular weight of 506.49 g/mol, XLogP of 2.58, 7 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxynaphthalene-2-carbonyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 123643997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).