1-butyl-N-(6-chloro-2-pyridinyl)-3-methylindole-2-carboxamide

C19H20ClN3O — CID 110501404

IUPAC1-butyl-N-(6-chloro-2-pyridinyl)-3-methylindole-2-carboxamide
SMILESCCCCn1c(C(=O)Nc2cccc(Cl)n2)c(C)c2ccccc21
InChIInChI=1S/C19H20ClN3O/c1-3-4-12-23-15-9-6-5-8-14(15)13(2)18(23)19(24)22-17-11-7-10-16(20)21-17/h5-11H,3-4,12H2,1-2H3,(H,21,22,24)
InChIKeyDYFRVMSFCKSSHY-UHFFFAOYSA-N
MW341.84 g/mol
LogP5.05
Rot. Bonds5

About 1-butyl-N-(6-chloro-2-pyridinyl)-3-methylindole-2-carboxamide

1-butyl-N-(6-chloro-2-pyridinyl)-3-methylindole-2-carboxamide (PubChem CID 110501404) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 1-butyl-N-(6-chloro-2-pyridinyl)-3-methylindole-2-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(6-chloro-2-pyridinyl)-3-methylindole-2-carboxamide
PubChem CID110501404
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name1-butyl-N-(6-chloro-2-pyridinyl)-3-methylindole-2-carboxamide
SMILESCCCCn1c(C(=O)Nc2cccc(Cl)n2)c(C)c2ccccc21
InChIInChI=1S/C19H20ClN3O/c1-3-4-12-23-15-9-6-5-8-14(15)13(2)18(23)19(24)22-17-11-7-10-16(20)21-17/h5-11H,3-4,12H2,1-2H3,(H,21,22,24)
InChIKeyDYFRVMSFCKSSHY-UHFFFAOYSA-N
XLogP5.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.84
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-butyl-N-(2,6-dichlorophenyl)-3-methylindole-2-carboxamide
CID 110501258
1-butyl-3-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide
CID 110501362
1-butyl-3-methyl-N-pyridin-4-ylindole-2-carboxamide
CID 110501411
1-butyl-N-(4-tert-butylphenyl)-3-methylindole-2-carboxamide
CID 110501283
methyl 3-[(1-butyl-3-methylindole-2-carbonyl)amino]-4-chlorobenzoate
CID 110501319
1-butyl-3-methyl-N-(1H-1,2,4-triazol-5-yl)indole-2-carboxamide
CID 110501382
1-butyl-3-methyl-N-[3-(trifluoromethyl)phenyl]indole-2-carboxamide
CID 110501236
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-3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]indole-2-carboxamide
CID 110503514
1-butyl-3-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)indole-2-carboxamide
CID 110503516
4-[(1-butyl-3-methylindole-2-carbonyl)amino]butanoic acid
CID 110497307

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(6-chloro-2-pyridinyl)-3-methylindole-2-carboxamide?
The IUPAC name of 1-butyl-N-(6-chloro-2-pyridinyl)-3-methylindole-2-carboxamide (CID 110501404) is 1-butyl-N-(6-chloro-2-pyridinyl)-3-methylindole-2-carboxamide.
What is the SMILES notation for 1-butyl-N-(6-chloro-2-pyridinyl)-3-methylindole-2-carboxamide?
The canonical SMILES for 1-butyl-N-(6-chloro-2-pyridinyl)-3-methylindole-2-carboxamide is CCCCn1c(C(=O)Nc2cccc(Cl)n2)c(C)c2ccccc21.
What is the InChIKey of 1-butyl-N-(6-chloro-2-pyridinyl)-3-methylindole-2-carboxamide?
The InChIKey is DYFRVMSFCKSSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-3-4-12-23-15-9-6-5-8-14(15)13(2)18(23)19(24)22-17-11-7-10-16(20)21-17/h5-11H,3-4,12H2,1-2H3,(H,21,22,24).
What are the key properties of 1-butyl-N-(6-chloro-2-pyridinyl)-3-methylindole-2-carboxamide?
1-butyl-N-(6-chloro-2-pyridinyl)-3-methylindole-2-carboxamide has a molecular weight of 341.84 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(6-chloro-2-pyridinyl)-3-methylindole-2-carboxamide is sourced from PubChem (CID 110501404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).