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

C11H13N5O2 — CID 54883341

IUPAC4,6-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCc2ncn[nH]2)c(=O)[nH]1
InChIInChI=1S/C11H13N5O2/c1-6-3-7(2)15-11(18)9(6)10(17)12-4-8-13-5-14-16-8/h3,5H,4H2,1-2H3,(H,12,17)(H,15,18)(H,13,14,16)
InChIKeyONGYVLAMWWDNHC-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.04
Rot. Bonds3

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

4,6-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide (PubChem CID 54883341) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 4,6-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide
PubChem CID54883341
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name4,6-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCc2ncn[nH]2)c(=O)[nH]1
InChIInChI=1S/C11H13N5O2/c1-6-3-7(2)15-11(18)9(6)10(17)12-4-8-13-5-14-16-8/h3,5H,4H2,1-2H3,(H,12,17)(H,15,18)(H,13,14,16)
InChIKeyONGYVLAMWWDNHC-UHFFFAOYSA-N
XLogP0.04
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 4,6-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide (CID 54883341) is 4,6-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4,6-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 4,6-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)NCc2ncn[nH]2)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide?
The InChIKey is ONGYVLAMWWDNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-6-3-7(2)15-11(18)9(6)10(17)12-4-8-13-5-14-16-8/h3,5H,4H2,1-2H3,(H,12,17)(H,15,18)(H,13,14,16).
What are the key properties of 4,6-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide?
4,6-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide has a molecular weight of 247.26 g/mol, XLogP of 0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 54883341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).