1-butyl-3-methyl-N-(4-pyrrolidin-1-ylphenyl)indole-2-carboxamide

C24H29N3O — CID 110501327

IUPAC1-butyl-3-methyl-N-(4-pyrrolidin-1-ylphenyl)indole-2-carboxamide
SMILESCCCCn1c(C(=O)Nc2ccc(N3CCCC3)cc2)c(C)c2ccccc21
InChIInChI=1S/C24H29N3O/c1-3-4-17-27-22-10-6-5-9-21(22)18(2)23(27)24(28)25-19-11-13-20(14-12-19)26-15-7-8-16-26/h5-6,9-14H,3-4,7-8,15-17H2,1-2H3,(H,25,28)
InChIKeyZVVNUKQEVRNKDV-UHFFFAOYSA-N
MW375.52 g/mol
LogP5.60
Rot. Bonds6

About 1-butyl-3-methyl-N-(4-pyrrolidin-1-ylphenyl)indole-2-carboxamide

1-butyl-3-methyl-N-(4-pyrrolidin-1-ylphenyl)indole-2-carboxamide (PubChem CID 110501327) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 1-butyl-3-methyl-N-(4-pyrrolidin-1-ylphenyl)indole-2-carboxamide.

Molecular Properties

Compound Name1-butyl-3-methyl-N-(4-pyrrolidin-1-ylphenyl)indole-2-carboxamide
PubChem CID110501327
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name1-butyl-3-methyl-N-(4-pyrrolidin-1-ylphenyl)indole-2-carboxamide
SMILESCCCCn1c(C(=O)Nc2ccc(N3CCCC3)cc2)c(C)c2ccccc21
InChIInChI=1S/C24H29N3O/c1-3-4-17-27-22-10-6-5-9-21(22)18(2)23(27)24(28)25-19-11-13-20(14-12-19)26-15-7-8-16-26/h5-6,9-14H,3-4,7-8,15-17H2,1-2H3,(H,25,28)
InChIKeyZVVNUKQEVRNKDV-UHFFFAOYSA-N
XLogP5.60
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-methyl-N-(4-morpholin-4-ylphenyl)indole-2-carboxamide
CID 110501398
1-butyl-N-(4-tert-butylphenyl)-3-methylindole-2-carboxamide
CID 110501283
1-butyl-3-methyl-N-pyridin-4-ylindole-2-carboxamide
CID 110501411
ethyl 4-[(1-butyl-3-methylindole-2-carbonyl)amino]benzoate
CID 110501209
1-butyl-3-methyl-N-(1H-1,2,4-triazol-5-yl)indole-2-carboxamide
CID 110501382
5-bromo-2-[(1-butyl-3-methylindole-2-carbonyl)amino]benzoic acid
CID 110501339
1-butyl-N-(6-chloro-2-pyridinyl)-3-methylindole-2-carboxamide
CID 110501404
1-butyl-3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]indole-2-carboxamide
CID 110503514
2-[(1-butyl-3-methylindole-2-carbonyl)-methylamino]acetic acid
CID 110498687
methyl 3-[(1-butyl-3-methylindole-2-carbonyl)amino]-4-chlorobenzoate
CID 110501319
2-(1,2-dimethylindol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113211474
4-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113103823

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-N-(4-pyrrolidin-1-ylphenyl)indole-2-carboxamide?
The IUPAC name of 1-butyl-3-methyl-N-(4-pyrrolidin-1-ylphenyl)indole-2-carboxamide (CID 110501327) is 1-butyl-3-methyl-N-(4-pyrrolidin-1-ylphenyl)indole-2-carboxamide.
What is the SMILES notation for 1-butyl-3-methyl-N-(4-pyrrolidin-1-ylphenyl)indole-2-carboxamide?
The canonical SMILES for 1-butyl-3-methyl-N-(4-pyrrolidin-1-ylphenyl)indole-2-carboxamide is CCCCn1c(C(=O)Nc2ccc(N3CCCC3)cc2)c(C)c2ccccc21.
What is the InChIKey of 1-butyl-3-methyl-N-(4-pyrrolidin-1-ylphenyl)indole-2-carboxamide?
The InChIKey is ZVVNUKQEVRNKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-3-4-17-27-22-10-6-5-9-21(22)18(2)23(27)24(28)25-19-11-13-20(14-12-19)26-15-7-8-16-26/h5-6,9-14H,3-4,7-8,15-17H2,1-2H3,(H,25,28).
What are the key properties of 1-butyl-3-methyl-N-(4-pyrrolidin-1-ylphenyl)indole-2-carboxamide?
1-butyl-3-methyl-N-(4-pyrrolidin-1-ylphenyl)indole-2-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-N-(4-pyrrolidin-1-ylphenyl)indole-2-carboxamide is sourced from PubChem (CID 110501327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).