N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide

C16H13N7O2 — CID 156586925

IUPACN-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
SMILESCc1cc2c(C)nc(NC(=O)c3ccnc(-n4cnnc4)c3)nc2o1
InChIInChI=1S/C16H13N7O2/c1-9-5-12-10(2)20-16(22-15(12)25-9)21-14(24)11-3-4-17-13(6-11)23-7-18-19-8-23/h3-8H,1-2H3,(H,20,21,22,24)
InChIKeyGPLIJONQVQFXJI-UHFFFAOYSA-N
MW335.33 g/mol
LogP2.07
Rot. Bonds3

About N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide

N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide (PubChem CID 156586925) has the molecular formula C16H13N7O2 and a molecular weight of 335.33 g/mol. Its IUPAC name is N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
PubChem CID156586925
Molecular FormulaC16H13N7O2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC NameN-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
SMILESCc1cc2c(C)nc(NC(=O)c3ccnc(-n4cnnc4)c3)nc2o1
InChIInChI=1S/C16H13N7O2/c1-9-5-12-10(2)20-16(22-15(12)25-9)21-14(24)11-3-4-17-13(6-11)23-7-18-19-8-23/h3-8H,1-2H3,(H,20,21,22,24)
InChIKeyGPLIJONQVQFXJI-UHFFFAOYSA-N
XLogP2.07
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide with MolForge

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Related Compounds

N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 39890492
ethane;N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide;molecular hydrogen
CID 166481214
N-(4-iodo-2-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 6497099
N-(4-fluorophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 39890507
N-(2-iodophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 6497093
3-[[2-(1,2,4-triazol-4-yl)pyridine-4-carbonyl]amino]benzoic acid
CID 5306824
N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 46993374
N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 134699156
2-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide
CID 114037403
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 74247232
2-imidazol-1-yl-N-(5-methyl-1H-imidazol-2-yl)pyridine-4-carboxamide
CID 75430489
N-(4-ethylphenyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 87010836

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide (CID 156586925) is N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide is Cc1cc2c(C)nc(NC(=O)c3ccnc(-n4cnnc4)c3)nc2o1.
What is the InChIKey of N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide?
The InChIKey is GPLIJONQVQFXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O2/c1-9-5-12-10(2)20-16(22-15(12)25-9)21-14(24)11-3-4-17-13(6-11)23-7-18-19-8-23/h3-8H,1-2H3,(H,20,21,22,24).
What are the key properties of N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide?
N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide has a molecular weight of 335.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 156586925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).