2,3-dimethyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1H-indole-5-carboxamide

C22H24N4O2 — CID 55736357

IUPAC2,3-dimethyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)Nc3ccccc3NC(=O)N3CCCC3)cc2c1C
InChIInChI=1S/C22H24N4O2/c1-14-15(2)23-18-10-9-16(13-17(14)18)21(27)24-19-7-3-4-8-20(19)25-22(28)26-11-5-6-12-26/h3-4,7-10,13,23H,5-6,11-12H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyYSEBYBVVPPWORS-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.66
Rot. Bonds3

About 2,3-dimethyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1H-indole-5-carboxamide

2,3-dimethyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1H-indole-5-carboxamide (PubChem CID 55736357) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2,3-dimethyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1H-indole-5-carboxamide
PubChem CID55736357
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2,3-dimethyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)Nc3ccccc3NC(=O)N3CCCC3)cc2c1C
InChIInChI=1S/C22H24N4O2/c1-14-15(2)23-18-10-9-16(13-17(14)18)21(27)24-19-7-3-4-8-20(19)25-22(28)26-11-5-6-12-26/h3-4,7-10,13,23H,5-6,11-12H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyYSEBYBVVPPWORS-UHFFFAOYSA-N
XLogP4.66
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(2-iodophenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 26581665
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 23474767
N-(2-benzylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 4785719
2,3-dimethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1H-indole-5-carboxamide
CID 46434037
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 43073972
2,3-dimethyl-N-(2-prop-2-enylsulfanylphenyl)-1H-indole-5-carboxamide
CID 46636880
2,3-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1H-indole-5-carboxamide
CID 137255654
3-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]benzoic acid
CID 23474692
N-[2-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 86992494
2,3-dimethyl-N-(5-piperidin-1-yl-2-pyridinyl)-1H-indole-5-carboxamide
CID 78878202
2,3-dimethyl-N-(1-methylcyclobutyl)-1H-indole-5-carboxamide
CID 115766234
3,4-dihydro-1H-isoquinolin-2-yl-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 4788431

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1H-indole-5-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1H-indole-5-carboxamide (CID 55736357) is 2,3-dimethyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1H-indole-5-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)Nc3ccccc3NC(=O)N3CCCC3)cc2c1C.
What is the InChIKey of 2,3-dimethyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1H-indole-5-carboxamide?
The InChIKey is YSEBYBVVPPWORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14-15(2)23-18-10-9-16(13-17(14)18)21(27)24-19-7-3-4-8-20(19)25-22(28)26-11-5-6-12-26/h3-4,7-10,13,23H,5-6,11-12H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 2,3-dimethyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1H-indole-5-carboxamide?
2,3-dimethyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1H-indole-5-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.66, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 55736357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).