8-(aminomethyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)naphthalene-2-carboxamide;hydrochloride

C21H18ClN5O — CID 166431458

IUPAC8-(aminomethyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)naphthalene-2-carboxamide;hydrochloride
SMILESCc1cc2c(NC(=O)c3ccc4cccc(CN)c4c3)n[nH]c2cc1C#N.Cl
InChIInChI=1S/C21H17N5O.ClH/c1-12-7-18-19(9-16(12)11-23)25-26-20(18)24-21(27)14-6-5-13-3-2-4-15(10-22)17(13)8-14;/h2-9H,10,22H2,1H3,(H2,24,25,26,27);1H
InChIKeyOWPXNDWYAINJCQ-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.03
Rot. Bonds3

About 8-(aminomethyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)naphthalene-2-carboxamide;hydrochloride

8-(aminomethyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)naphthalene-2-carboxamide;hydrochloride (PubChem CID 166431458) has the molecular formula C21H18ClN5O and a molecular weight of 391.86 g/mol. Its IUPAC name is 8-(aminomethyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)naphthalene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name8-(aminomethyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)naphthalene-2-carboxamide;hydrochloride
PubChem CID166431458
Molecular FormulaC21H18ClN5O
Molecular Weight391.86 g/mol
Exact Mass391.12
IUPAC Name8-(aminomethyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)naphthalene-2-carboxamide;hydrochloride
SMILESCc1cc2c(NC(=O)c3ccc4cccc(CN)c4c3)n[nH]c2cc1C#N.Cl
InChIInChI=1S/C21H17N5O.ClH/c1-12-7-18-19(9-16(12)11-23)25-26-20(18)24-21(27)14-6-5-13-3-2-4-15(10-22)17(13)8-14;/h2-9H,10,22H2,1H3,(H2,24,25,26,27);1H
InChIKeyOWPXNDWYAINJCQ-UHFFFAOYSA-N
XLogP4.03
TPSA107.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-cyano-5-methyl-1H-indazol-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide
CID 166431465
8-(aminomethyl)-N-(3-methylimidazo[1,2-a]pyridin-2-yl)naphthalene-2-carboxamide
CID 166362910
N-(6-cyano-5-methyl-1H-indazol-3-yl)cyclopropanecarboxamide
CID 167778038
N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 167949292
1-(2-chlorophenyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-5-ethylpyrazole-4-carboxamide
CID 167928097
N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 167817105
trans-(1R,2R)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 167772729
N-(6-cyano-5-methyl-1H-indazol-3-yl)-2-piperidin-3-ylpyrazole-3-carboxamide
CID 166394379
N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]benzamide
CID 69059504
3-benzamido-1H-indazole-5-carboxylic acid
CID 129093990
3-benzamido-N-(3-hydroxyphenyl)-1H-indazole-5-carboxamide
CID 142752240
N-[2-(aminomethyl)phenyl]-3-hydroxy-4-methylbenzamide
CID 16772682

Frequently Asked Questions

What is the IUPAC name of 8-(aminomethyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)naphthalene-2-carboxamide;hydrochloride?
The IUPAC name of 8-(aminomethyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)naphthalene-2-carboxamide;hydrochloride (CID 166431458) is 8-(aminomethyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)naphthalene-2-carboxamide;hydrochloride.
What is the SMILES notation for 8-(aminomethyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)naphthalene-2-carboxamide;hydrochloride?
The canonical SMILES for 8-(aminomethyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)naphthalene-2-carboxamide;hydrochloride is Cc1cc2c(NC(=O)c3ccc4cccc(CN)c4c3)n[nH]c2cc1C#N.Cl.
What is the InChIKey of 8-(aminomethyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)naphthalene-2-carboxamide;hydrochloride?
The InChIKey is OWPXNDWYAINJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O.ClH/c1-12-7-18-19(9-16(12)11-23)25-26-20(18)24-21(27)14-6-5-13-3-2-4-15(10-22)17(13)8-14;/h2-9H,10,22H2,1H3,(H2,24,25,26,27);1H.
What are the key properties of 8-(aminomethyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)naphthalene-2-carboxamide;hydrochloride?
8-(aminomethyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)naphthalene-2-carboxamide;hydrochloride has a molecular weight of 391.86 g/mol, XLogP of 4.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(aminomethyl)-N-(6-cyano-5-methyl-1H-indazol-3-yl)naphthalene-2-carboxamide;hydrochloride is sourced from PubChem (CID 166431458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).