N-[2-(1H-indol-3-yl)-2-phenylethyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

C24H20N6O — CID 112811528

IUPACN-[2-(1H-indol-3-yl)-2-phenylethyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESO=C(NCC(c1ccccc1)c1c[nH]c2ccccc12)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C24H20N6O/c31-24(18-10-11-23(27-12-18)30-16-25-15-29-30)28-13-20(17-6-2-1-3-7-17)21-14-26-22-9-5-4-8-19(21)22/h1-12,14-16,20,26H,13H2,(H,28,31)
InChIKeyOPRWHNKWVZPSDS-UHFFFAOYSA-N
MW408.47 g/mol
LogP3.71
Rot. Bonds6

About N-[2-(1H-indol-3-yl)-2-phenylethyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

N-[2-(1H-indol-3-yl)-2-phenylethyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (PubChem CID 112811528) has the molecular formula C24H20N6O and a molecular weight of 408.47 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-phenylethyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-phenylethyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
PubChem CID112811528
Molecular FormulaC24H20N6O
Molecular Weight408.47 g/mol
Exact Mass408.17
IUPAC NameN-[2-(1H-indol-3-yl)-2-phenylethyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESO=C(NCC(c1ccccc1)c1c[nH]c2ccccc12)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C24H20N6O/c31-24(18-10-11-23(27-12-18)30-16-25-15-29-30)28-13-20(17-6-2-1-3-7-17)21-14-26-22-9-5-4-8-19(21)22/h1-12,14-16,20,26H,13H2,(H,28,31)
InChIKeyOPRWHNKWVZPSDS-UHFFFAOYSA-N
XLogP3.71
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(1H-indol-3-yl)-2-phenylethyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55532269
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 8019643
4-cyano-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 2489680
N-(2-hydroxyethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 43416525
4-(acetamidomethyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 46692237
3-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130101
N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51154964
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylpyrimidine-4-carboxamide
CID 52536064
2-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130080
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 46553423
2-bromo-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 17014637
2-bromo-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 26243574

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-phenylethyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-phenylethyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (CID 112811528) is N-[2-(1H-indol-3-yl)-2-phenylethyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-phenylethyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-phenylethyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is O=C(NCC(c1ccccc1)c1c[nH]c2ccccc12)c1ccc(-n2cncn2)nc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-phenylethyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The InChIKey is OPRWHNKWVZPSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O/c31-24(18-10-11-23(27-12-18)30-16-25-15-29-30)28-13-20(17-6-2-1-3-7-17)21-14-26-22-9-5-4-8-19(21)22/h1-12,14-16,20,26H,13H2,(H,28,31).
What are the key properties of N-[2-(1H-indol-3-yl)-2-phenylethyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
N-[2-(1H-indol-3-yl)-2-phenylethyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide has a molecular weight of 408.47 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-phenylethyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 112811528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).