3-cyano-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide

C22H20N4O2 — CID 58328258

IUPAC3-cyano-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc2c(C#N)cn(C)c2c1
InChIInChI=1S/C22H20N4O2/c1-13-3-4-14(21(27)24-17-6-7-17)9-19(13)25-22(28)15-5-8-18-16(11-23)12-26(2)20(18)10-15/h3-5,8-10,12,17H,6-7H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyMLLXPFNBSIFHPA-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.50
Rot. Bonds4

About 3-cyano-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide

3-cyano-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide (PubChem CID 58328258) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-cyano-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide.

Molecular Properties

Compound Name3-cyano-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide
PubChem CID58328258
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name3-cyano-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc2c(C#N)cn(C)c2c1
InChIInChI=1S/C22H20N4O2/c1-13-3-4-14(21(27)24-17-6-7-17)9-19(13)25-22(28)15-5-8-18-16(11-23)12-26(2)20(18)10-15/h3-5,8-10,12,17H,6-7H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyMLLXPFNBSIFHPA-UHFFFAOYSA-N
XLogP3.50
TPSA86.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-cyano-2-methylpropanoyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 60530745
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3,4,5-trifluorobenzamide
CID 66631543
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
2-bromo-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide
CID 58786259
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide
CID 59234662
N-cyclopropyl-4-methyl-3-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 47047657
ethyl 6-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]indole-1-carboxylate
CID 58328161
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrrolidine-1-carboxamide
CID 47039794
2-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyridine-4-carboxamide
CID 47047663
N-cyclopropyl-4-methyl-3-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzamide
CID 55786011
N-cyclopropyl-3-[(2-iodo-5-nitrobenzoyl)amino]-4-methylbenzamide
CID 55786243
2-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974842

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide?
The IUPAC name of 3-cyano-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide (CID 58328258) is 3-cyano-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide.
What is the SMILES notation for 3-cyano-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide?
The canonical SMILES for 3-cyano-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc2c(C#N)cn(C)c2c1.
What is the InChIKey of 3-cyano-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide?
The InChIKey is MLLXPFNBSIFHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-13-3-4-14(21(27)24-17-6-7-17)9-19(13)25-22(28)15-5-8-18-16(11-23)12-26(2)20(18)10-15/h3-5,8-10,12,17H,6-7H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 3-cyano-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide?
3-cyano-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide is sourced from PubChem (CID 58328258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).