6-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide

C20H22N4O2 — CID 134002788

IUPAC6-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)Nc3ccc(NC(=O)NC(C)C)cc3)[nH]c2c1
InChIInChI=1S/C20H22N4O2/c1-12(2)21-20(26)23-16-8-6-15(7-9-16)22-19(25)18-11-14-5-4-13(3)10-17(14)24-18/h4-12,24H,1-3H3,(H,22,25)(H2,21,23,26)
InChIKeyMTAVBNUZBARDRA-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.26
Rot. Bonds4

About 6-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide

6-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide (PubChem CID 134002788) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
PubChem CID134002788
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name6-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)Nc3ccc(NC(=O)NC(C)C)cc3)[nH]c2c1
InChIInChI=1S/C20H22N4O2/c1-12(2)21-20(26)23-16-8-6-15(7-9-16)22-19(25)18-11-14-5-4-13(3)10-17(14)24-18/h4-12,24H,1-3H3,(H,22,25)(H2,21,23,26)
InChIKeyMTAVBNUZBARDRA-UHFFFAOYSA-N
XLogP4.26
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847855
6-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 113207376
5-chloro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 134002786
N-(2,6-dimethylphenyl)-6-methyl-1H-indole-2-carboxamide
CID 113207344
4-fluoro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 36865190
N-[4-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-6-methyl-1H-indole-2-carboxamide
CID 123184653
6-bromo-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 60555509
N-(3-methoxyphenyl)-6-methyl-1H-indole-2-carboxamide
CID 113207365
N-(2-anilino-2-oxo-1-phenylethyl)-6-methyl-1H-indole-2-carboxamide
CID 55963560
methyl 3-[(6-methyl-1H-indole-2-carbonyl)amino]benzoate
CID 113207378
5-methyl-N-phenyl-1H-indole-2-carboxamide
CID 3254922
N-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 110861116

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide (CID 134002788) is 6-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide is Cc1ccc2cc(C(=O)Nc3ccc(NC(=O)NC(C)C)cc3)[nH]c2c1.
What is the InChIKey of 6-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide?
The InChIKey is MTAVBNUZBARDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-12(2)21-20(26)23-16-8-6-15(7-9-16)22-19(25)18-11-14-5-4-13(3)10-17(14)24-18/h4-12,24H,1-3H3,(H,22,25)(H2,21,23,26).
What are the key properties of 6-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide?
6-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 4.26, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 134002788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).