N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

C18H14N8O — CID 70814424

IUPACN-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCc1nc(NC(=O)c2cc(-c3ccncc3)n[nH]2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H14N8O/c1-11-21-16(13-4-2-3-7-20-13)23-18(22-11)24-17(27)15-10-14(25-26-15)12-5-8-19-9-6-12/h2-10H,1H3,(H,25,26)(H,21,22,23,24,27)
InChIKeyDTIADVUXCOWYAI-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.28
Rot. Bonds4

About N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 70814424) has the molecular formula C18H14N8O and a molecular weight of 358.37 g/mol. Its IUPAC name is N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID70814424
Molecular FormulaC18H14N8O
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC NameN-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCc1nc(NC(=O)c2cc(-c3ccncc3)n[nH]2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H14N8O/c1-11-21-16(13-4-2-3-7-20-13)23-18(22-11)24-17(27)15-10-14(25-26-15)12-5-8-19-9-6-12/h2-10H,1H3,(H,25,26)(H,21,22,23,24,27)
InChIKeyDTIADVUXCOWYAI-UHFFFAOYSA-N
XLogP2.28
TPSA122.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)benzamide
CID 58849719
1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrrole-2-carboxamide
CID 70814491
4-benzamido-2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide
CID 70814351
N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-sulfamoylbenzamide
CID 70814294
2,4-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-thiazole-5-carboxamide
CID 70814564
N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 70814538
4-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 70814440
5-fluoro-1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)indole-2-carboxamide
CID 70814585
N-(3-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087403
2,2-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide
CID 70814404
N-(2-chlorophenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53008238
4-[(dimethylamino)methyl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide
CID 70936560

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (CID 70814424) is N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is Cc1nc(NC(=O)c2cc(-c3ccncc3)n[nH]2)nc(-c2ccccn2)n1.
What is the InChIKey of N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is DTIADVUXCOWYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N8O/c1-11-21-16(13-4-2-3-7-20-13)23-18(22-11)24-17(27)15-10-14(25-26-15)12-5-8-19-9-6-12/h2-10H,1H3,(H,25,26)(H,21,22,23,24,27).
What are the key properties of N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 358.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 70814424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).