N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylpyrazole-4-carboxamide

C14H18N4O2 — CID 41416719

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cnn(C)c2C)c(=O)[nH]1
InChIInChI=1S/C14H18N4O2/c1-8-5-9(2)17-14(20)11(8)6-15-13(19)12-7-16-18(4)10(12)3/h5,7H,6H2,1-4H3,(H,15,19)(H,17,20)
InChIKeyVOZIQLHFVCAWOB-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.96
Rot. Bonds3

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylpyrazole-4-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 41416719) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylpyrazole-4-carboxamide
PubChem CID41416719
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cnn(C)c2C)c(=O)[nH]1
InChIInChI=1S/C14H18N4O2/c1-8-5-9(2)17-14(20)11(8)6-15-13(19)12-7-16-18(4)10(12)3/h5,7H,6H2,1-4H3,(H,15,19)(H,17,20)
InChIKeyVOZIQLHFVCAWOB-UHFFFAOYSA-N
XLogP0.96
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylpyrazole-4-carboxamide (CID 41416719) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylpyrazole-4-carboxamide is Cc1cc(C)c(CNC(=O)c2cnn(C)c2C)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is VOZIQLHFVCAWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-8-5-9(2)17-14(20)11(8)6-15-13(19)12-7-16-18(4)10(12)3/h5,7H,6H2,1-4H3,(H,15,19)(H,17,20).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylpyrazole-4-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 41416719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).