6-amino-N-(2-methoxyphenyl)-1H-indole-3-carboxamide

C16H15N3O2 — CID 61089726

IUPAC6-amino-N-(2-methoxyphenyl)-1H-indole-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C16H15N3O2/c1-21-15-5-3-2-4-13(15)19-16(20)12-9-18-14-8-10(17)6-7-11(12)14/h2-9,18H,17H2,1H3,(H,19,20)
InChIKeyNFGRMKDLDVZDFP-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.01
Rot. Bonds3

About 6-amino-N-(2-methoxyphenyl)-1H-indole-3-carboxamide

6-amino-N-(2-methoxyphenyl)-1H-indole-3-carboxamide (PubChem CID 61089726) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 6-amino-N-(2-methoxyphenyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2-methoxyphenyl)-1H-indole-3-carboxamide
PubChem CID61089726
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name6-amino-N-(2-methoxyphenyl)-1H-indole-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C16H15N3O2/c1-21-15-5-3-2-4-13(15)19-16(20)12-9-18-14-8-10(17)6-7-11(12)14/h2-9,18H,17H2,1H3,(H,19,20)
InChIKeyNFGRMKDLDVZDFP-UHFFFAOYSA-N
XLogP3.01
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.01
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

6-amino-N-(2-methyl-3-pyridinyl)-1H-indole-3-carboxamide
CID 79041592
6-amino-N-phenyl-1H-indole-3-carboxamide;hydrochloride
CID 71938706
5,6-dimethoxy-N-(2-propan-2-yloxyphenyl)-1H-indole-3-carboxamide
CID 113206991
5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 851811
5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoate
CID 7312565
N-(2-methoxy-4-methylphenyl)-1H-indole-3-carboxamide
CID 60933429
N-(2-ethoxyphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206274
5-amino-N-(2-methylsulfanylphenyl)-1H-indole-3-carboxamide
CID 63116828
5-amino-N-(2-chlorophenyl)-1H-indole-3-carboxamide
CID 63116419
N-(2-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 917217
6-amino-N-(6-methyl-2-pyridinyl)-1H-indole-3-carboxamide
CID 61095295
5,6-dimethoxy-N-phenyl-1H-indole-3-carboxamide
CID 113206946

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-methoxyphenyl)-1H-indole-3-carboxamide?
The IUPAC name of 6-amino-N-(2-methoxyphenyl)-1H-indole-3-carboxamide (CID 61089726) is 6-amino-N-(2-methoxyphenyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-amino-N-(2-methoxyphenyl)-1H-indole-3-carboxamide?
The canonical SMILES for 6-amino-N-(2-methoxyphenyl)-1H-indole-3-carboxamide is COc1ccccc1NC(=O)c1c[nH]c2cc(N)ccc12.
What is the InChIKey of 6-amino-N-(2-methoxyphenyl)-1H-indole-3-carboxamide?
The InChIKey is NFGRMKDLDVZDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-21-15-5-3-2-4-13(15)19-16(20)12-9-18-14-8-10(17)6-7-11(12)14/h2-9,18H,17H2,1H3,(H,19,20).
What are the key properties of 6-amino-N-(2-methoxyphenyl)-1H-indole-3-carboxamide?
6-amino-N-(2-methoxyphenyl)-1H-indole-3-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 3.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-methoxyphenyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 61089726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).