4-amino-3-hydroxy-N-(4-methylphenyl)naphthalene-2-carboxamide;5-amino-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane

C29H29N7O2 — CID 143927342

IUPAC4-amino-3-hydroxy-N-(4-methylphenyl)naphthalene-2-carboxamide;5-amino-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane
SMILESCC.Cc1ccc(NC(=O)c2cc3ccccc3c(N)c2O)cc1.N#Cc1cnn(-c2ccccn2)c1N
InChIInChI=1S/C18H16N2O2.C9H7N5.C2H6/c1-11-6-8-13(9-7-11)20-18(22)15-10-12-4-2-3-5-14(12)16(19)17(15)21;10-5-7-6-13-14(9(7)11)8-3-1-2-4-12-8;1-2/h2-10,21H,19H2,1H3,(H,20,22);1-4,6H,11H2;1-2H3
InChIKeyHRPMGNHTXUTFDP-UHFFFAOYSA-N
MW507.60 g/mol
LogP5.44
Rot. Bonds3

About 4-amino-3-hydroxy-N-(4-methylphenyl)naphthalene-2-carboxamide;5-amino-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane

4-amino-3-hydroxy-N-(4-methylphenyl)naphthalene-2-carboxamide;5-amino-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane (PubChem CID 143927342) has the molecular formula C29H29N7O2 and a molecular weight of 507.60 g/mol. Its IUPAC name is 4-amino-3-hydroxy-N-(4-methylphenyl)naphthalene-2-carboxamide;5-amino-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane.

Molecular Properties

Compound Name4-amino-3-hydroxy-N-(4-methylphenyl)naphthalene-2-carboxamide;5-amino-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane
PubChem CID143927342
Molecular FormulaC29H29N7O2
Molecular Weight507.60 g/mol
Exact Mass507.24
IUPAC Name4-amino-3-hydroxy-N-(4-methylphenyl)naphthalene-2-carboxamide;5-amino-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane
SMILESCC.Cc1ccc(NC(=O)c2cc3ccccc3c(N)c2O)cc1.N#Cc1cnn(-c2ccccn2)c1N
InChIInChI=1S/C18H16N2O2.C9H7N5.C2H6/c1-11-6-8-13(9-7-11)20-18(22)15-10-12-4-2-3-5-14(12)16(19)17(15)21;10-5-7-6-13-14(9(7)11)8-3-1-2-4-12-8;1-2/h2-10,21H,19H2,1H3,(H,20,22);1-4,6H,11H2;1-2H3
InChIKeyHRPMGNHTXUTFDP-UHFFFAOYSA-N
XLogP5.44
TPSA155.87 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.60
LogP ≤ 55.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OH_no_alk_B(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[4-(5-amino-4-cyano-1-pyrimidin-2-ylpyrrol-3-yl)phenyl]acetamide;4-amino-3-hydroxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide
CID 143927359
4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N-phenyl-7-N-propylnaphthalene-2,7-dicarboxamide
CID 163859214
N-[4-[[4-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxynaphthalene-2-carboxamide
CID 136994641
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylbenzamide
CID 108738088
4-amino-N-(4-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 143927256
5-methyl-1-pyridin-2-yl-N-(4-sulfamoylphenyl)pyrazole-4-carboxamide
CID 24825177
4-[(4-cyano-5-methyl-2-pyridin-2-ylpyrazolidin-3-ylidene)amino]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide
CID 123392505
4-amino-8-cyano-N-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 1492988
4-amino-N-(3-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide
CID 145215535
5-methyl-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 100610981
N-[3,5-bis[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]phenyl]-4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(5-hydroxypentoxy)phenyl]-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-propylnaphthalene-2-carboxamide
CID 158712613
N-[4-(acetylsulfamoyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793466

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxy-N-(4-methylphenyl)naphthalene-2-carboxamide;5-amino-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane?
The IUPAC name of 4-amino-3-hydroxy-N-(4-methylphenyl)naphthalene-2-carboxamide;5-amino-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane (CID 143927342) is 4-amino-3-hydroxy-N-(4-methylphenyl)naphthalene-2-carboxamide;5-amino-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane.
What is the SMILES notation for 4-amino-3-hydroxy-N-(4-methylphenyl)naphthalene-2-carboxamide;5-amino-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane?
The canonical SMILES for 4-amino-3-hydroxy-N-(4-methylphenyl)naphthalene-2-carboxamide;5-amino-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane is CC.Cc1ccc(NC(=O)c2cc3ccccc3c(N)c2O)cc1.N#Cc1cnn(-c2ccccn2)c1N.
What is the InChIKey of 4-amino-3-hydroxy-N-(4-methylphenyl)naphthalene-2-carboxamide;5-amino-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane?
The InChIKey is HRPMGNHTXUTFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2.C9H7N5.C2H6/c1-11-6-8-13(9-7-11)20-18(22)15-10-12-4-2-3-5-14(12)16(19)17(15)21;10-5-7-6-13-14(9(7)11)8-3-1-2-4-12-8;1-2/h2-10,21H,19H2,1H3,(H,20,22);1-4,6H,11H2;1-2H3.
What are the key properties of 4-amino-3-hydroxy-N-(4-methylphenyl)naphthalene-2-carboxamide;5-amino-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane?
4-amino-3-hydroxy-N-(4-methylphenyl)naphthalene-2-carboxamide;5-amino-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane has a molecular weight of 507.60 g/mol, XLogP of 5.44, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxy-N-(4-methylphenyl)naphthalene-2-carboxamide;5-amino-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane is sourced from PubChem (CID 143927342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).