2,4-dimethyl-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide

C13H14N4O2 — CID 136911249

IUPAC2,4-dimethyl-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCc2cccnc2)c(=O)[nH]1
InChIInChI=1S/C13H14N4O2/c1-8-11(13(19)17-9(2)16-8)12(18)15-7-10-4-3-5-14-6-10/h3-6H,7H2,1-2H3,(H,15,18)(H,16,17,19)
InChIKeyXNRIHAMCKGTOAH-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.71
Rot. Bonds3

About 2,4-dimethyl-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide

2,4-dimethyl-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 136911249) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2,4-dimethyl-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
PubChem CID136911249
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name2,4-dimethyl-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCc2cccnc2)c(=O)[nH]1
InChIInChI=1S/C13H14N4O2/c1-8-11(13(19)17-9(2)16-8)12(18)15-7-10-4-3-5-14-6-10/h3-6H,7H2,1-2H3,(H,15,18)(H,16,17,19)
InChIKeyXNRIHAMCKGTOAH-UHFFFAOYSA-N
XLogP0.71
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
CID 110691661
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 35335541
5-iodo-6-methyl-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 125490402
4-hydroxy-2-oxo-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 54680309
7-chloro-2-methyl-N-(pyridin-3-ylmethyl)-1H-indole-3-carboxamide
CID 110852044
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
4-methyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 110852055
7-methyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 110852008
1-(4-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 40636787
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentamethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 2803457

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dimethyl-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide (CID 136911249) is 2,4-dimethyl-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide is Cc1nc(C)c(C(=O)NCc2cccnc2)c(=O)[nH]1.
What is the InChIKey of 2,4-dimethyl-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is XNRIHAMCKGTOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8-11(13(19)17-9(2)16-8)12(18)15-7-10-4-3-5-14-6-10/h3-6H,7H2,1-2H3,(H,15,18)(H,16,17,19).
What are the key properties of 2,4-dimethyl-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide?
2,4-dimethyl-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 136911249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).