2,3,6-trimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]quinoline-4-carboxamide

C21H20N6O — CID 72896656

IUPAC2,3,6-trimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]quinoline-4-carboxamide
SMILESCc1ccc2nc(C)c(C)c(C(=O)NCc3nc(-c4ccncc4)n[nH]3)c2c1
InChIInChI=1S/C21H20N6O/c1-12-4-5-17-16(10-12)19(13(2)14(3)24-17)21(28)23-11-18-25-20(27-26-18)15-6-8-22-9-7-15/h4-10H,11H2,1-3H3,(H,23,28)(H,25,26,27)
InChIKeyLAQLZVIXFSOBLU-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.27
Rot. Bonds4

About 2,3,6-trimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]quinoline-4-carboxamide

2,3,6-trimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]quinoline-4-carboxamide (PubChem CID 72896656) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 2,3,6-trimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2,3,6-trimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]quinoline-4-carboxamide
PubChem CID72896656
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name2,3,6-trimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]quinoline-4-carboxamide
SMILESCc1ccc2nc(C)c(C)c(C(=O)NCc3nc(-c4ccncc4)n[nH]3)c2c1
InChIInChI=1S/C21H20N6O/c1-12-4-5-17-16(10-12)19(13(2)14(3)24-17)21(28)23-11-18-25-20(27-26-18)15-6-8-22-9-7-15/h4-10H,11H2,1-3H3,(H,23,28)(H,25,26,27)
InChIKeyLAQLZVIXFSOBLU-UHFFFAOYSA-N
XLogP3.27
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,3,6-trimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]quinoline-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 56524273
2-(3-methyl-1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 91760353
5-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide
CID 46958783
4-amino-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 82569633
5,6-dimethyl-2-oxo-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1H-pyridine-3-carboxamide
CID 70744904
3-phenoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 117074450
5-(5-methylthiophen-2-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1H-pyrazole-3-carboxamide
CID 70788775
3,5-difluoro-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 126468209
4-amino-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 82569636
N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazole-2-carboxamide
CID 25106890
2-hydroxy-4-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 25106894
2-(2,5-dimethoxyphenyl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 16672587

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2,3,6-trimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]quinoline-4-carboxamide (CID 72896656) is 2,3,6-trimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2,3,6-trimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2,3,6-trimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]quinoline-4-carboxamide is Cc1ccc2nc(C)c(C)c(C(=O)NCc3nc(-c4ccncc4)n[nH]3)c2c1.
What is the InChIKey of 2,3,6-trimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]quinoline-4-carboxamide?
The InChIKey is LAQLZVIXFSOBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-12-4-5-17-16(10-12)19(13(2)14(3)24-17)21(28)23-11-18-25-20(27-26-18)15-6-8-22-9-7-15/h4-10H,11H2,1-3H3,(H,23,28)(H,25,26,27).
What are the key properties of 2,3,6-trimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]quinoline-4-carboxamide?
2,3,6-trimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]quinoline-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 72896656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).