5-chloro-N-(diaminomethylidene)-1-methylindole-2-carboxamide

C11H11ClN4O — CID 15290298

IUPAC5-chloro-N-(diaminomethylidene)-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)N=C(N)N)cc2cc(Cl)ccc21
InChIInChI=1S/C11H11ClN4O/c1-16-8-3-2-7(12)4-6(8)5-9(16)10(17)15-11(13)14/h2-5H,1H3,(H4,13,14,15,17)
InChIKeyMHDAEVDDAFQMOI-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.25
Rot. Bonds1

About 5-chloro-N-(diaminomethylidene)-1-methylindole-2-carboxamide

5-chloro-N-(diaminomethylidene)-1-methylindole-2-carboxamide (PubChem CID 15290298) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 5-chloro-N-(diaminomethylidene)-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(diaminomethylidene)-1-methylindole-2-carboxamide
PubChem CID15290298
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name5-chloro-N-(diaminomethylidene)-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)N=C(N)N)cc2cc(Cl)ccc21
InChIInChI=1S/C11H11ClN4O/c1-16-8-3-2-7(12)4-6(8)5-9(16)10(17)15-11(13)14/h2-5H,1H3,(H4,13,14,15,17)
InChIKeyMHDAEVDDAFQMOI-UHFFFAOYSA-N
XLogP1.25
TPSA86.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.25
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

N-(diaminomethylidene)-5-hydroxy-1-methylindole-2-carboxamide
CID 15290313
1-(5-chloro-1-methylindol-2-yl)ethanone;ethane
CID 145281717
[2-(diaminomethylidenecarbamoyl)-1-methylindol-5-yl] hydrogen sulfate
CID 22720030
1-benzyl-5-chloro-N-(diaminomethylidene)indole-2-carboxamide;hydrochloride
CID 22097790
methyl 5-chloro-1-methylindole-2-carboxylate
CID 4777715
azetidin-1-yl-(5-chloro-1-methylindol-2-yl)methanone
CID 141372490
tert-butyl 3-(5-chloro-1-methylindol-2-yl)-3-oxopropanoate
CID 91475479
3-acetyl-6-chloro-1-methylquinolin-2-one
CID 118953914
2-(5-chloro-1-methylindol-2-yl)-2-hydroxyacetic acid
CID 115072026
2-[2-[(5-chloro-1-methylindole-2-carbonyl)amino]propanoylamino]-3-methylbutanoic acid
CID 4839787
2-[[(2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]propanoyl]amino]acetic acid
CID 7070087
methyl 2-[[(5-chloro-1-methylindole-2-carbonyl)amino]methyl]-4,4-dimethylpentanoate
CID 166342088

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(diaminomethylidene)-1-methylindole-2-carboxamide?
The IUPAC name of 5-chloro-N-(diaminomethylidene)-1-methylindole-2-carboxamide (CID 15290298) is 5-chloro-N-(diaminomethylidene)-1-methylindole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(diaminomethylidene)-1-methylindole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(diaminomethylidene)-1-methylindole-2-carboxamide is Cn1c(C(=O)N=C(N)N)cc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-N-(diaminomethylidene)-1-methylindole-2-carboxamide?
The InChIKey is MHDAEVDDAFQMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-16-8-3-2-7(12)4-6(8)5-9(16)10(17)15-11(13)14/h2-5H,1H3,(H4,13,14,15,17).
What are the key properties of 5-chloro-N-(diaminomethylidene)-1-methylindole-2-carboxamide?
5-chloro-N-(diaminomethylidene)-1-methylindole-2-carboxamide has a molecular weight of 250.69 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(diaminomethylidene)-1-methylindole-2-carboxamide is sourced from PubChem (CID 15290298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).