4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide

C26H20N8O2 — CID 68641935

IUPAC4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc3ccccc3c(NNc3c(C#N)cnn3-c3ncccn3)c2O)c1
InChIInChI=1S/C26H20N8O2/c1-16-6-4-8-19(12-16)31-25(36)21-13-17-7-2-3-9-20(17)22(23(21)35)32-33-24-18(14-27)15-30-34(24)26-28-10-5-11-29-26/h2-13,15,32-33,35H,1H3,(H,31,36)
InChIKeySJLZJMBRUIRBDI-UHFFFAOYSA-N
MW476.50 g/mol
LogP4.39
Rot. Bonds6

About 4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide

4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide (PubChem CID 68641935) has the molecular formula C26H20N8O2 and a molecular weight of 476.50 g/mol. Its IUPAC name is 4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide
PubChem CID68641935
Molecular FormulaC26H20N8O2
Molecular Weight476.50 g/mol
Exact Mass476.17
IUPAC Name4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc3ccccc3c(NNc3c(C#N)cnn3-c3ncccn3)c2O)c1
InChIInChI=1S/C26H20N8O2/c1-16-6-4-8-19(12-16)31-25(36)21-13-17-7-2-3-9-20(17)22(23(21)35)32-33-24-18(14-27)15-30-34(24)26-28-10-5-11-29-26/h2-13,15,32-33,35H,1H3,(H,31,36)
InChIKeySJLZJMBRUIRBDI-UHFFFAOYSA-N
XLogP4.39
TPSA140.78 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 54.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide?
The IUPAC name of 4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide (CID 68641935) is 4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide is Cc1cccc(NC(=O)c2cc3ccccc3c(NNc3c(C#N)cnn3-c3ncccn3)c2O)c1.
What is the InChIKey of 4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide?
The InChIKey is SJLZJMBRUIRBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N8O2/c1-16-6-4-8-19(12-16)31-25(36)21-13-17-7-2-3-9-20(17)22(23(21)35)32-33-24-18(14-27)15-30-34(24)26-28-10-5-11-29-26/h2-13,15,32-33,35H,1H3,(H,31,36).
What are the key properties of 4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide?
4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide has a molecular weight of 476.50 g/mol, XLogP of 4.39, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 68641935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).