6-(2-amino-3,4-dimethylphenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide

C18H19N5O2 — CID 24988325

IUPAC6-(2-amino-3,4-dimethylphenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide
SMILESCc1ccc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)c(N)c1C
InChIInChI=1S/C18H19N5O2/c1-8-3-5-11(15(19)9(8)2)10-4-6-12-13(7-10)22-17(23-18(21)25)14(12)16(20)24/h3-7,22H,19H2,1-2H3,(H2,20,24)(H3,21,23,25)
InChIKeyFGAIYANKYJZKGL-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.62
Rot. Bonds3

About 6-(2-amino-3,4-dimethylphenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide

6-(2-amino-3,4-dimethylphenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide (PubChem CID 24988325) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-(2-amino-3,4-dimethylphenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-(2-amino-3,4-dimethylphenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide
PubChem CID24988325
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name6-(2-amino-3,4-dimethylphenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide
SMILESCc1ccc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)c(N)c1C
InChIInChI=1S/C18H19N5O2/c1-8-3-5-11(15(19)9(8)2)10-4-6-12-13(7-10)22-17(23-18(21)25)14(12)16(20)24/h3-7,22H,19H2,1-2H3,(H2,20,24)(H3,21,23,25)
InChIKeyFGAIYANKYJZKGL-UHFFFAOYSA-N
XLogP2.62
TPSA140.02 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-3,4-dimethylphenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide?
The IUPAC name of 6-(2-amino-3,4-dimethylphenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide (CID 24988325) is 6-(2-amino-3,4-dimethylphenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-(2-amino-3,4-dimethylphenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide?
The canonical SMILES for 6-(2-amino-3,4-dimethylphenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide is Cc1ccc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)c(N)c1C.
What is the InChIKey of 6-(2-amino-3,4-dimethylphenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide?
The InChIKey is FGAIYANKYJZKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-8-3-5-11(15(19)9(8)2)10-4-6-12-13(7-10)22-17(23-18(21)25)14(12)16(20)24/h3-7,22H,19H2,1-2H3,(H2,20,24)(H3,21,23,25).
What are the key properties of 6-(2-amino-3,4-dimethylphenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide?
6-(2-amino-3,4-dimethylphenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.62, 3 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-3,4-dimethylphenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide is sourced from PubChem (CID 24988325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).