1-butyl-3-methyl-N-pyridin-4-ylindole-2-carboxamide

C19H21N3O — CID 110501411

IUPAC1-butyl-3-methyl-N-pyridin-4-ylindole-2-carboxamide
SMILESCCCCn1c(C(=O)Nc2ccncc2)c(C)c2ccccc21
InChIInChI=1S/C19H21N3O/c1-3-4-13-22-17-8-6-5-7-16(17)14(2)18(22)19(23)21-15-9-11-20-12-10-15/h5-12H,3-4,13H2,1-2H3,(H,20,21,23)
InChIKeyWQWPKSJCXKXCKJ-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.40
Rot. Bonds5

About 1-butyl-3-methyl-N-pyridin-4-ylindole-2-carboxamide

1-butyl-3-methyl-N-pyridin-4-ylindole-2-carboxamide (PubChem CID 110501411) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-butyl-3-methyl-N-pyridin-4-ylindole-2-carboxamide.

Molecular Properties

Compound Name1-butyl-3-methyl-N-pyridin-4-ylindole-2-carboxamide
PubChem CID110501411
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1-butyl-3-methyl-N-pyridin-4-ylindole-2-carboxamide
SMILESCCCCn1c(C(=O)Nc2ccncc2)c(C)c2ccccc21
InChIInChI=1S/C19H21N3O/c1-3-4-13-22-17-8-6-5-7-16(17)14(2)18(22)19(23)21-15-9-11-20-12-10-15/h5-12H,3-4,13H2,1-2H3,(H,20,21,23)
InChIKeyWQWPKSJCXKXCKJ-UHFFFAOYSA-N
XLogP4.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-butyl-3-methyl-N-pyridin-4-ylindole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-N-(4-tert-butylphenyl)-3-methylindole-2-carboxamide
CID 110501283
ethyl 4-[(1-butyl-3-methylindole-2-carbonyl)amino]benzoate
CID 110501209
1-butyl-3-methyl-N-(4-pyrrolidin-1-ylphenyl)indole-2-carboxamide
CID 110501327
1-butyl-N-(2,6-dichlorophenyl)-3-methylindole-2-carboxamide
CID 110501258
1-butyl-3-methyl-N-(4-morpholin-4-ylphenyl)indole-2-carboxamide
CID 110501398
1-butyl-3-methyl-N-[3-(trifluoromethyl)phenyl]indole-2-carboxamide
CID 110501236
1-butyl-3-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide
CID 110501362
1-butyl-N-(6-chloro-2-pyridinyl)-3-methylindole-2-carboxamide
CID 110501404
1-butyl-3-methyl-N-(1H-1,2,4-triazol-5-yl)indole-2-carboxamide
CID 110501382
2-(diethylamino)ethyl 4-[(1-butyl-3-methylindole-2-carbonyl)amino]benzoate
CID 110501276
5-bromo-2-[(1-butyl-3-methylindole-2-carbonyl)amino]benzoic acid
CID 110501339
1-butyl-3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]indole-2-carboxamide
CID 110503514

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-N-pyridin-4-ylindole-2-carboxamide?
The IUPAC name of 1-butyl-3-methyl-N-pyridin-4-ylindole-2-carboxamide (CID 110501411) is 1-butyl-3-methyl-N-pyridin-4-ylindole-2-carboxamide.
What is the SMILES notation for 1-butyl-3-methyl-N-pyridin-4-ylindole-2-carboxamide?
The canonical SMILES for 1-butyl-3-methyl-N-pyridin-4-ylindole-2-carboxamide is CCCCn1c(C(=O)Nc2ccncc2)c(C)c2ccccc21.
What is the InChIKey of 1-butyl-3-methyl-N-pyridin-4-ylindole-2-carboxamide?
The InChIKey is WQWPKSJCXKXCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-3-4-13-22-17-8-6-5-7-16(17)14(2)18(22)19(23)21-15-9-11-20-12-10-15/h5-12H,3-4,13H2,1-2H3,(H,20,21,23).
What are the key properties of 1-butyl-3-methyl-N-pyridin-4-ylindole-2-carboxamide?
1-butyl-3-methyl-N-pyridin-4-ylindole-2-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 4.40, 5 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-pyridin-4-ylindole-2-carboxamide is sourced from PubChem (CID 110501411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).