2-amino-N-(1H-indazol-7-yl)-5-methylbenzamide

C15H14N4O — CID 62060505

IUPAC2-amino-N-(1H-indazol-7-yl)-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)Nc2cccc3cn[nH]c23)c1
InChIInChI=1S/C15H14N4O/c1-9-5-6-12(16)11(7-9)15(20)18-13-4-2-3-10-8-17-19-14(10)13/h2-8H,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyKYDNDUIZDZEWLB-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.71
Rot. Bonds2

About 2-amino-N-(1H-indazol-7-yl)-5-methylbenzamide

2-amino-N-(1H-indazol-7-yl)-5-methylbenzamide (PubChem CID 62060505) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-amino-N-(1H-indazol-7-yl)-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(1H-indazol-7-yl)-5-methylbenzamide
PubChem CID62060505
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-amino-N-(1H-indazol-7-yl)-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)Nc2cccc3cn[nH]c23)c1
InChIInChI=1S/C15H14N4O/c1-9-5-6-12(16)11(7-9)15(20)18-13-4-2-3-10-8-17-19-14(10)13/h2-8H,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyKYDNDUIZDZEWLB-UHFFFAOYSA-N
XLogP2.71
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(1H-indazol-7-yl)-5-methylbenzamide
CID 80979787
2-amino-4-fluoro-N-(1H-indazol-7-yl)benzamide
CID 62060504
2-amino-N-(1H-indazol-7-yl)-4-methoxybenzamide
CID 115412694
N-(1H-indazol-7-yl)-2-(methylamino)benzamide
CID 61376523
4-amino-2-fluoro-N-(1H-indazol-7-yl)benzamide
CID 107794047
2,3-difluoro-N-(1H-indazol-7-yl)benzamide
CID 62661069
2-amino-N-(2,3-dichlorophenyl)-5-methylbenzamide
CID 62509307
N-(1H-indazol-7-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61260102
ethyl 2-(1H-indazol-7-ylamino)-2-oxoacetate
CID 110471105
N-(1H-indazol-7-yl)-2-methylpropanamide
CID 31817153
2-amino-N-(2,6-dimethylphenyl)-5-methylbenzamide
CID 55083036
3,4-difluoro-N-(1H-indazol-7-yl)benzamide
CID 110473054

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-indazol-7-yl)-5-methylbenzamide?
The IUPAC name of 2-amino-N-(1H-indazol-7-yl)-5-methylbenzamide (CID 62060505) is 2-amino-N-(1H-indazol-7-yl)-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-(1H-indazol-7-yl)-5-methylbenzamide?
The canonical SMILES for 2-amino-N-(1H-indazol-7-yl)-5-methylbenzamide is Cc1ccc(N)c(C(=O)Nc2cccc3cn[nH]c23)c1.
What is the InChIKey of 2-amino-N-(1H-indazol-7-yl)-5-methylbenzamide?
The InChIKey is KYDNDUIZDZEWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-9-5-6-12(16)11(7-9)15(20)18-13-4-2-3-10-8-17-19-14(10)13/h2-8H,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-amino-N-(1H-indazol-7-yl)-5-methylbenzamide?
2-amino-N-(1H-indazol-7-yl)-5-methylbenzamide has a molecular weight of 266.30 g/mol, XLogP of 2.71, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-indazol-7-yl)-5-methylbenzamide is sourced from PubChem (CID 62060505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).