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

C20H23N3O — CID 110501362

IUPAC1-butyl-3-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide
SMILESCCCCn1c(C(=O)Nc2cc(C)ccn2)c(C)c2ccccc21
InChIInChI=1S/C20H23N3O/c1-4-5-12-23-17-9-7-6-8-16(17)15(3)19(23)20(24)22-18-13-14(2)10-11-21-18/h6-11,13H,4-5,12H2,1-3H3,(H,21,22,24)
InChIKeyMNDITHBELFMUGQ-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.71
Rot. Bonds5

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

1-butyl-3-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide (PubChem CID 110501362) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-butyl-3-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide.

Molecular Properties

Compound Name1-butyl-3-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide
PubChem CID110501362
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name1-butyl-3-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide
SMILESCCCCn1c(C(=O)Nc2cc(C)ccn2)c(C)c2ccccc21
InChIInChI=1S/C20H23N3O/c1-4-5-12-23-17-9-7-6-8-16(17)15(3)19(23)20(24)22-18-13-14(2)10-11-21-18/h6-11,13H,4-5,12H2,1-3H3,(H,21,22,24)
InChIKeyMNDITHBELFMUGQ-UHFFFAOYSA-N
XLogP4.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-methyl-N-pyridin-4-ylindole-2-carboxamide
CID 110501411
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
1-butyl-N-(2,6-dichlorophenyl)-3-methylindole-2-carboxamide
CID 110501258
1-butyl-3-methyl-N-[3-(trifluoromethyl)phenyl]indole-2-carboxamide
CID 110501236
1-butyl-N-(4-tert-butylphenyl)-3-methylindole-2-carboxamide
CID 110501283
3-chloro-1-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide
CID 71896592
1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide
CID 110501570
ethyl 4-[(1-butyl-3-methylindole-2-carbonyl)amino]benzoate
CID 110501209
5-bromo-2-[(1-butyl-3-methylindole-2-carbonyl)amino]benzoic acid
CID 110501339
1-butyl-3-methyl-N-(4-pyrrolidin-1-ylphenyl)indole-2-carboxamide
CID 110501327
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-(4-methyl-2-pyridinyl)indole-2-carboxamide?
The IUPAC name of 1-butyl-3-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide (CID 110501362) is 1-butyl-3-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide.
What is the SMILES notation for 1-butyl-3-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide?
The canonical SMILES for 1-butyl-3-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide is CCCCn1c(C(=O)Nc2cc(C)ccn2)c(C)c2ccccc21.
What is the InChIKey of 1-butyl-3-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide?
The InChIKey is MNDITHBELFMUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-4-5-12-23-17-9-7-6-8-16(17)15(3)19(23)20(24)22-18-13-14(2)10-11-21-18/h6-11,13H,4-5,12H2,1-3H3,(H,21,22,24).
What are the key properties of 1-butyl-3-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide?
1-butyl-3-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 4.71, 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-(4-methyl-2-pyridinyl)indole-2-carboxamide is sourced from PubChem (CID 110501362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).