N-(aminomethylidene)-5-methoxy-1H-indole-2-carboxamide

C11H11N3O2 — CID 123205970

IUPACN-(aminomethylidene)-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)/N=C/N)cc2c1
InChIInChI=1S/C11H11N3O2/c1-16-8-2-3-9-7(4-8)5-10(14-9)11(15)13-6-12/h2-6,14H,1H3,(H2,12,13,15)
InChIKeyKGJFBSCHTMVDBL-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.30
Rot. Bonds2

About N-(aminomethylidene)-5-methoxy-1H-indole-2-carboxamide

N-(aminomethylidene)-5-methoxy-1H-indole-2-carboxamide (PubChem CID 123205970) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is N-(aminomethylidene)-5-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(aminomethylidene)-5-methoxy-1H-indole-2-carboxamide
PubChem CID123205970
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC NameN-(aminomethylidene)-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)/N=C/N)cc2c1
InChIInChI=1S/C11H11N3O2/c1-16-8-2-3-9-7(4-8)5-10(14-9)11(15)13-6-12/h2-6,14H,1H3,(H2,12,13,15)
InChIKeyKGJFBSCHTMVDBL-UHFFFAOYSA-N
XLogP1.30
TPSA80.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone
CID 10403180
N,5-dimethoxy-N-methyl-1H-indole-2-carboxamide
CID 23003326
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836
cyclobutyl-(5-methoxy-1H-indol-2-yl)methanone
CID 10955347
(NE)-N-[1-(5-methoxy-1H-indol-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
CID 178049101
(6-chloro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone
CID 11688408
N-[(2-fluorophenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide
CID 156600169
5-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 11067605
(2S)-2-[(5-methoxy-1H-indole-2-carbonyl)amino]propanoic acid
CID 110834885
(5-methoxyindol-1-yl)-(5-methoxy-1H-indol-2-yl)methanone
CID 139083916
N-carbamimidoyl-5-methoxy-N-methyl-1H-indole-2-carboxamide;hydrochloride
CID 70216272
5-methoxy-N-[(2S)-1-methoxypropan-2-yl]-1H-indole-2-carboxamide
CID 6926471

Frequently Asked Questions

What is the IUPAC name of N-(aminomethylidene)-5-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-(aminomethylidene)-5-methoxy-1H-indole-2-carboxamide (CID 123205970) is N-(aminomethylidene)-5-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-(aminomethylidene)-5-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-(aminomethylidene)-5-methoxy-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)/N=C/N)cc2c1.
What is the InChIKey of N-(aminomethylidene)-5-methoxy-1H-indole-2-carboxamide?
The InChIKey is KGJFBSCHTMVDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-8-2-3-9-7(4-8)5-10(14-9)11(15)13-6-12/h2-6,14H,1H3,(H2,12,13,15).
What are the key properties of N-(aminomethylidene)-5-methoxy-1H-indole-2-carboxamide?
N-(aminomethylidene)-5-methoxy-1H-indole-2-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethylidene)-5-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 123205970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).