N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)pyridine-2-carboxamide

C14H18N6O — CID 114389334

IUPACN-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2nnc(C)c(C)n2)nc1
InChIInChI=1S/C14H18N6O/c1-4-7-15-11-5-6-12(16-8-11)13(21)18-14-17-9(2)10(3)19-20-14/h5-6,8,15H,4,7H2,1-3H3,(H,17,18,20,21)
InChIKeyOINGYVITPZAJKE-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.96
Rot. Bonds5

About N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)pyridine-2-carboxamide

N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)pyridine-2-carboxamide (PubChem CID 114389334) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)pyridine-2-carboxamide
PubChem CID114389334
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2nnc(C)c(C)n2)nc1
InChIInChI=1S/C14H18N6O/c1-4-7-15-11-5-6-12(16-8-11)13(21)18-14-17-9(2)10(3)19-20-14/h5-6,8,15H,4,7H2,1-3H3,(H,17,18,20,21)
InChIKeyOINGYVITPZAJKE-UHFFFAOYSA-N
XLogP1.96
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-(propylamino)pyridine-2-carboxamide
CID 114389388
N-(2-methyl-3-pyridinyl)-5-(propylamino)pyridine-2-carboxamide
CID 104641691
N-(3-fluorophenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179399
5-(propylamino)-N-thiophen-3-ylpyridine-2-carboxamide
CID 104641679
N-(3-methyl-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide
CID 104641367
N-(3-chloro-2-methylphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179356
N-butan-2-yl-5-(propylamino)pyridine-2-carboxamide
CID 109179241
N-(5-bromopyrazin-2-yl)-5-(propylamino)pyridine-2-carboxamide
CID 104641633
N-(2,5-difluorophenyl)-5-(propylamino)pyridine-2-carboxamide
CID 104639737
N-(1-methylpyrazol-4-yl)-5-(propylamino)pyridine-2-carboxamide
CID 104640241
N-(2-bromo-3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 104641911
N-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195830

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)pyridine-2-carboxamide (CID 114389334) is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)pyridine-2-carboxamide is CCCNc1ccc(C(=O)Nc2nnc(C)c(C)n2)nc1.
What is the InChIKey of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)pyridine-2-carboxamide?
The InChIKey is OINGYVITPZAJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-4-7-15-11-5-6-12(16-8-11)13(21)18-14-17-9(2)10(3)19-20-14/h5-6,8,15H,4,7H2,1-3H3,(H,17,18,20,21).
What are the key properties of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)pyridine-2-carboxamide?
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)pyridine-2-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 114389334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).