N-(3-hydroxynaphthalen-2-yl)-1H-indazole-3-carboxamide

C18H13N3O2 — CID 86075446

IUPACN-(3-hydroxynaphthalen-2-yl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1cc2ccccc2cc1O)c1n[nH]c2ccccc12
InChIInChI=1S/C18H13N3O2/c22-16-10-12-6-2-1-5-11(12)9-15(16)19-18(23)17-13-7-3-4-8-14(13)20-21-17/h1-10,22H,(H,19,23)(H,20,21)
InChIKeyHXTLCDDJFCUXGB-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.67
Rot. Bonds2

About N-(3-hydroxynaphthalen-2-yl)-1H-indazole-3-carboxamide

N-(3-hydroxynaphthalen-2-yl)-1H-indazole-3-carboxamide (PubChem CID 86075446) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-(3-hydroxynaphthalen-2-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxynaphthalen-2-yl)-1H-indazole-3-carboxamide
PubChem CID86075446
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC NameN-(3-hydroxynaphthalen-2-yl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1cc2ccccc2cc1O)c1n[nH]c2ccccc12
InChIInChI=1S/C18H13N3O2/c22-16-10-12-6-2-1-5-11(12)9-15(16)19-18(23)17-13-7-3-4-8-14(13)20-21-17/h1-10,22H,(H,19,23)(H,20,21)
InChIKeyHXTLCDDJFCUXGB-UHFFFAOYSA-N
XLogP3.67
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3-(1H-indazole-3-carbonylamino)benzoic acid
CID 170858293
N-(5-ethylsulfonyl-2-hydroxyphenyl)-1H-indazole-3-carboxamide
CID 31618688
N-(2-bromophenyl)-1H-indazole-3-carboxamide
CID 60636355
N-(5-chloro-2-fluorophenyl)-1H-indazole-3-carboxamide
CID 60700965
N-(3-acetamidophenyl)-1H-indazole-3-carboxamide
CID 9114494
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1H-indazole-3-carboxamide
CID 83086847
N-quinolin-7-yl-1H-indazole-3-carboxamide
CID 28734040
6-(1H-indazole-3-carbonylamino)pyridine-2-carboxylic acid
CID 63643067
N-(2-ethoxyphenyl)-1H-indazole-3-carboxamide
CID 16866355
N-(2-chloro-4-cyanophenyl)-1H-indazole-3-carboxamide
CID 107809699
2-fluoro-5-(1H-indazole-3-carbonylamino)benzoic acid
CID 170858296
2-[3-(1H-indazole-3-carbonylamino)phenyl]acetic acid
CID 170858284

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxynaphthalen-2-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(3-hydroxynaphthalen-2-yl)-1H-indazole-3-carboxamide (CID 86075446) is N-(3-hydroxynaphthalen-2-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(3-hydroxynaphthalen-2-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(3-hydroxynaphthalen-2-yl)-1H-indazole-3-carboxamide is O=C(Nc1cc2ccccc2cc1O)c1n[nH]c2ccccc12.
What is the InChIKey of N-(3-hydroxynaphthalen-2-yl)-1H-indazole-3-carboxamide?
The InChIKey is HXTLCDDJFCUXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c22-16-10-12-6-2-1-5-11(12)9-15(16)19-18(23)17-13-7-3-4-8-14(13)20-21-17/h1-10,22H,(H,19,23)(H,20,21).
What are the key properties of N-(3-hydroxynaphthalen-2-yl)-1H-indazole-3-carboxamide?
N-(3-hydroxynaphthalen-2-yl)-1H-indazole-3-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 3.67, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxynaphthalen-2-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 86075446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).