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

C14H18N6O — CID 114389388

IUPACN-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)Nc2nnc(C)c(C)n2)n1
InChIInChI=1S/C14H18N6O/c1-4-8-15-12-7-5-6-11(17-12)13(21)18-14-16-9(2)10(3)19-20-14/h5-7H,4,8H2,1-3H3,(H,15,17)(H,16,18,20,21)
InChIKeyFTGLMNGWQXEVPP-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.96
Rot. Bonds5

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

N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-(propylamino)pyridine-2-carboxamide (PubChem CID 114389388) 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)-6-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-(propylamino)pyridine-2-carboxamide
PubChem CID114389388
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)Nc2nnc(C)c(C)n2)n1
InChIInChI=1S/C14H18N6O/c1-4-8-15-12-7-5-6-11(17-12)13(21)18-14-16-9(2)10(3)19-20-14/h5-7H,4,8H2,1-3H3,(H,15,17)(H,16,18,20,21)
InChIKeyFTGLMNGWQXEVPP-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)-5-(propylamino)pyridine-2-carboxamide
CID 114389334
N-(2-methylphenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62240814
6-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyridine-2-carboxamide
CID 114389346
N-(4,6-dimethyl-2-pyridinyl)-6-(propylamino)pyridine-2-carboxamide
CID 114933112
N-(4-iodophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 63499138
N-(2-fluorophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62239443
N-propan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 62240109
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-2-carboxamide
CID 107643149
N-(2-bromo-5-methylphenyl)-6-(propylamino)pyridine-2-carboxamide
CID 82750044
N-(2-bromo-4-methylphenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62239243
N-(2,5-dichlorophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62240936
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(propylamino)pyridine-2-carboxamide
CID 79231920

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-(propylamino)pyridine-2-carboxamide (CID 114389388) is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-(propylamino)pyridine-2-carboxamide is CCCNc1cccc(C(=O)Nc2nnc(C)c(C)n2)n1.
What is the InChIKey of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-(propylamino)pyridine-2-carboxamide?
The InChIKey is FTGLMNGWQXEVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-4-8-15-12-7-5-6-11(17-12)13(21)18-14-16-9(2)10(3)19-20-14/h5-7H,4,8H2,1-3H3,(H,15,17)(H,16,18,20,21).
What are the key properties of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-(propylamino)pyridine-2-carboxamide?
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-(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)-6-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 114389388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).