1-benzyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]indole-3-carboxamide

C24H20N6O — CID 55961451

IUPAC1-benzyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]indole-3-carboxamide
SMILESO=C(NCc1cccnc1-n1cncn1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C24H20N6O/c31-24(27-13-19-9-6-12-26-23(19)30-17-25-16-28-30)21-15-29(14-18-7-2-1-3-8-18)22-11-5-4-10-20(21)22/h1-12,15-17H,13-14H2,(H,27,31)
InChIKeyYNGSWOTXRHWIIB-UHFFFAOYSA-N
MW408.47 g/mol
LogP3.60
Rot. Bonds6

About 1-benzyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]indole-3-carboxamide

1-benzyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]indole-3-carboxamide (PubChem CID 55961451) has the molecular formula C24H20N6O and a molecular weight of 408.47 g/mol. Its IUPAC name is 1-benzyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]indole-3-carboxamide
PubChem CID55961451
Molecular FormulaC24H20N6O
Molecular Weight408.47 g/mol
Exact Mass408.17
IUPAC Name1-benzyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]indole-3-carboxamide
SMILESO=C(NCc1cccnc1-n1cncn1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C24H20N6O/c31-24(27-13-19-9-6-12-26-23(19)30-17-25-16-28-30)21-15-29(14-18-7-2-1-3-8-18)22-11-5-4-10-20(21)22/h1-12,15-17H,13-14H2,(H,27,31)
InChIKeyYNGSWOTXRHWIIB-UHFFFAOYSA-N
XLogP3.60
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55841050
4-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]chromene-2-carboxamide
CID 47036755
1-benzyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 31941346
2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 51091803
3-methyl-2-[(2-phenylacetyl)amino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide
CID 55720204
2-(4-bromophenyl)sulfanyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 55720549
5-methyl-2-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide
CID 47036749
2-methyl-5-methylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 55721134
6-chloro-2-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]quinoline-3-carboxamide
CID 47036764
1-[(2S)-3-methylbutan-2-yl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 94027698
2-propyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 50973850
1-benzyl-N-propylindole-3-carboxamide
CID 24654500

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]indole-3-carboxamide?
The IUPAC name of 1-benzyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]indole-3-carboxamide (CID 55961451) is 1-benzyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]indole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]indole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]indole-3-carboxamide is O=C(NCc1cccnc1-n1cncn1)c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-benzyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]indole-3-carboxamide?
The InChIKey is YNGSWOTXRHWIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O/c31-24(27-13-19-9-6-12-26-23(19)30-17-25-16-28-30)21-15-29(14-18-7-2-1-3-8-18)22-11-5-4-10-20(21)22/h1-12,15-17H,13-14H2,(H,27,31).
What are the key properties of 1-benzyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]indole-3-carboxamide?
1-benzyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]indole-3-carboxamide has a molecular weight of 408.47 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]indole-3-carboxamide is sourced from PubChem (CID 55961451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).