2,4-dimethyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]pyrimidine-5-carboxamide

C14H13N7O — CID 119048415

IUPAC2,4-dimethyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(-n3cncn3)cn2)c(C)n1
InChIInChI=1S/C14H13N7O/c1-9-12(6-16-10(2)19-9)14(22)20-13-4-3-11(5-17-13)21-8-15-7-18-21/h3-8H,1-2H3,(H,17,20,22)
InChIKeySKPDQGGKWQVUHP-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.32
Rot. Bonds3

About 2,4-dimethyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]pyrimidine-5-carboxamide

2,4-dimethyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]pyrimidine-5-carboxamide (PubChem CID 119048415) has the molecular formula C14H13N7O and a molecular weight of 295.31 g/mol. Its IUPAC name is 2,4-dimethyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]pyrimidine-5-carboxamide
PubChem CID119048415
Molecular FormulaC14H13N7O
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name2,4-dimethyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(-n3cncn3)cn2)c(C)n1
InChIInChI=1S/C14H13N7O/c1-9-12(6-16-10(2)19-9)14(22)20-13-4-3-11(5-17-13)21-8-15-7-18-21/h3-8H,1-2H3,(H,17,20,22)
InChIKeySKPDQGGKWQVUHP-UHFFFAOYSA-N
XLogP1.32
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide
CID 119048406
3-(propan-2-ylsulfamoyl)-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]benzamide
CID 167885767
2,4-dimethyl-N-pyridazin-4-ylpyrimidine-5-carboxamide
CID 53492857
N-(5-cyano-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830947
[4-(1,2,4-triazol-1-yl)phenyl]carbamic acid
CID 66927702
1-(4-bromophenyl)-5-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-4-carboxamide
CID 37120145
2,4-dimethyl-N-[(2R)-pentan-2-yl]pyrimidine-5-carboxamide
CID 92648513
N,N-dimethyl-3-[[[5-(1,2,4-triazol-1-yl)-2-pyridinyl]amino]methyl]benzamide
CID 167755430
N-benzhydryl-2,4-dimethylpyrimidine-5-carboxamide
CID 92648536
N-(3-bromophenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 92648375
N-(2-tert-butylphenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 110858381
N-(3,4-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 92648403

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]pyrimidine-5-carboxamide (CID 119048415) is 2,4-dimethyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]pyrimidine-5-carboxamide is Cc1ncc(C(=O)Nc2ccc(-n3cncn3)cn2)c(C)n1.
What is the InChIKey of 2,4-dimethyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]pyrimidine-5-carboxamide?
The InChIKey is SKPDQGGKWQVUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O/c1-9-12(6-16-10(2)19-9)14(22)20-13-4-3-11(5-17-13)21-8-15-7-18-21/h3-8H,1-2H3,(H,17,20,22).
What are the key properties of 2,4-dimethyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]pyrimidine-5-carboxamide?
2,4-dimethyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]pyrimidine-5-carboxamide has a molecular weight of 295.31 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 119048415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).