2-(carbamoylamino)-6-methyl-1H-indole-3-carboxamide

C11H12N4O2 — CID 59189951

IUPAC2-(carbamoylamino)-6-methyl-1H-indole-3-carboxamide
SMILESCc1ccc2c(C(N)=O)c(NC(N)=O)[nH]c2c1
InChIInChI=1S/C11H12N4O2/c1-5-2-3-6-7(4-5)14-10(15-11(13)17)8(6)9(12)16/h2-4,14H,1H3,(H2,12,16)(H3,13,15,17)
InChIKeyLTXKEULSXONOFW-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.07
Rot. Bonds2

About 2-(carbamoylamino)-6-methyl-1H-indole-3-carboxamide

2-(carbamoylamino)-6-methyl-1H-indole-3-carboxamide (PubChem CID 59189951) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(carbamoylamino)-6-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-6-methyl-1H-indole-3-carboxamide
PubChem CID59189951
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-(carbamoylamino)-6-methyl-1H-indole-3-carboxamide
SMILESCc1ccc2c(C(N)=O)c(NC(N)=O)[nH]c2c1
InChIInChI=1S/C11H12N4O2/c1-5-2-3-6-7(4-5)14-10(15-11(13)17)8(6)9(12)16/h2-4,14H,1H3,(H2,12,16)(H3,13,15,17)
InChIKeyLTXKEULSXONOFW-UHFFFAOYSA-N
XLogP1.07
TPSA114.00 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-amino-3,4-dimethylphenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide
CID 24988325
6-(3-aminophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide
CID 59189917
2-(carbamoylamino)-6-(1-phenylethenyl)-1H-indole-3-carboxamide
CID 59189770
6-(3-acetamidophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide
CID 59189816
2-(carbamoylamino)-6-[3-(dimethylamino)phenyl]-1H-indole-3-carboxamide
CID 59189862
2-(carbamoylamino)-6-cyclohexyl-1H-indole-3-carboxamide
CID 24989062
2-(carbamoylamino)-6-[3-(diethylamino)propyl]-1H-indole-3-carboxamide
CID 59189868
2-(carbamoylamino)-6-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide
CID 59189854
[3-[3-carbamoyl-2-(carbamoylamino)-1H-indol-6-yl]phenyl]methyl acetate
CID 59189839
2-(carbamoylamino)-6-[(cyclopentylamino)methyl]-1H-indole-3-carboxamide
CID 59189919
5-bromo-2-(carbamoylamino)-6-methoxy-1H-indole-3-carboxamide
CID 67071846
methyl 2-(2-acetamido-6-methyl-1H-indol-3-yl)prop-2-enoate
CID 70590202

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-6-methyl-1H-indole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-6-methyl-1H-indole-3-carboxamide (CID 59189951) is 2-(carbamoylamino)-6-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-6-methyl-1H-indole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-6-methyl-1H-indole-3-carboxamide is Cc1ccc2c(C(N)=O)c(NC(N)=O)[nH]c2c1.
What is the InChIKey of 2-(carbamoylamino)-6-methyl-1H-indole-3-carboxamide?
The InChIKey is LTXKEULSXONOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-5-2-3-6-7(4-5)14-10(15-11(13)17)8(6)9(12)16/h2-4,14H,1H3,(H2,12,16)(H3,13,15,17).
What are the key properties of 2-(carbamoylamino)-6-methyl-1H-indole-3-carboxamide?
2-(carbamoylamino)-6-methyl-1H-indole-3-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 1.07, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-6-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 59189951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).