2-formamido-6-(3-methylphenyl)-1H-indole-3-carboxamide

C17H15N3O2 — CID 143724235

IUPAC2-formamido-6-(3-methylphenyl)-1H-indole-3-carboxamide
SMILESCc1cccc(-c2ccc3c(C(N)=O)c(NC=O)[nH]c3c2)c1
InChIInChI=1S/C17H15N3O2/c1-10-3-2-4-11(7-10)12-5-6-13-14(8-12)20-17(19-9-21)15(13)16(18)22/h2-9,20H,1H3,(H2,18,22)(H,19,21)
InChIKeyPCJAYKRHVUEICN-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.81
Rot. Bonds4

About 2-formamido-6-(3-methylphenyl)-1H-indole-3-carboxamide

2-formamido-6-(3-methylphenyl)-1H-indole-3-carboxamide (PubChem CID 143724235) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-formamido-6-(3-methylphenyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-formamido-6-(3-methylphenyl)-1H-indole-3-carboxamide
PubChem CID143724235
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-formamido-6-(3-methylphenyl)-1H-indole-3-carboxamide
SMILESCc1cccc(-c2ccc3c(C(N)=O)c(NC=O)[nH]c3c2)c1
InChIInChI=1S/C17H15N3O2/c1-10-3-2-4-11(7-10)12-5-6-13-14(8-12)20-17(19-9-21)15(13)16(18)22/h2-9,20H,1H3,(H2,18,22)(H,19,21)
InChIKeyPCJAYKRHVUEICN-UHFFFAOYSA-N
XLogP2.81
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-formamido-6-[4-(hydroxymethyl)-2-pyridinyl]-1H-indole-3-carboxamide;methanamine
CID 143724299
6-(3-aminophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide
CID 59189917
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-methyl-1H-indole-3-carboxamide
CID 59189951
2-formamido-6-[5-[(2-hydroxyethylamino)methyl]furan-2-yl]-1H-indole-3-carboxamide
CID 143724329
2-formamido-6-(4-hydroxypent-1-ynyl)-1H-indole-3-carboxamide;methanamine
CID 143724216
6-[3-[[2-(dimethylamino)ethylamino]methyl]phenyl]-2-(methylamino)-1H-indole-3-carboxamide;formamide
CID 143724224
[3-[3-carbamoyl-2-(carbamoylamino)-1H-indol-6-yl]phenyl]methyl acetate
CID 59189839
2-(carbamoylamino)-6-[3-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide
CID 24988330
6-(2-amino-3,4-dimethylphenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide
CID 24988325
formamide;6-[5-(hydroxymethyl)furan-2-yl]-2-(methylamino)-1H-indole-3-carboxamide
CID 143724292

Frequently Asked Questions

What is the IUPAC name of 2-formamido-6-(3-methylphenyl)-1H-indole-3-carboxamide?
The IUPAC name of 2-formamido-6-(3-methylphenyl)-1H-indole-3-carboxamide (CID 143724235) is 2-formamido-6-(3-methylphenyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 2-formamido-6-(3-methylphenyl)-1H-indole-3-carboxamide?
The canonical SMILES for 2-formamido-6-(3-methylphenyl)-1H-indole-3-carboxamide is Cc1cccc(-c2ccc3c(C(N)=O)c(NC=O)[nH]c3c2)c1.
What is the InChIKey of 2-formamido-6-(3-methylphenyl)-1H-indole-3-carboxamide?
The InChIKey is PCJAYKRHVUEICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-10-3-2-4-11(7-10)12-5-6-13-14(8-12)20-17(19-9-21)15(13)16(18)22/h2-9,20H,1H3,(H2,18,22)(H,19,21).
What are the key properties of 2-formamido-6-(3-methylphenyl)-1H-indole-3-carboxamide?
2-formamido-6-(3-methylphenyl)-1H-indole-3-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-6-(3-methylphenyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 143724235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).