6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxylic acid

C13H12N2O3 — CID 114038878

IUPAC6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxylic acid
SMILESCc1cc(=O)c(C(=O)O)cn1Cc1ccncc1
InChIInChI=1S/C13H12N2O3/c1-9-6-12(16)11(13(17)18)8-15(9)7-10-2-4-14-5-3-10/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeyNNYICDYJRUEMQZ-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.30
Rot. Bonds3

About 6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxylic acid

6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxylic acid (PubChem CID 114038878) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxylic acid
PubChem CID114038878
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxylic acid
SMILESCc1cc(=O)c(C(=O)O)cn1Cc1ccncc1
InChIInChI=1S/C13H12N2O3/c1-9-6-12(16)11(13(17)18)8-15(9)7-10-2-4-14-5-3-10/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeyNNYICDYJRUEMQZ-UHFFFAOYSA-N
XLogP1.30
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-oxopyridine-3-carboxylic acid
CID 114207634
3-methyl-1-(pyridin-4-ylmethyl)pyrrole-2-carboxylic acid
CID 102604631
1-benzyl-6-cyano-4-oxopyridine-3-carboxylic acid
CID 70608832
2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylic acid
CID 91010573
ethyl 6-methyl-4-oxo-1-(pyridin-4-ylmethyl)quinoline-3-carboxylate
CID 143904177
6-methyl-4-oxo-1-(thian-2-ylmethyl)pyridine-3-carboxylic acid
CID 114207539
2-[1-(pyridin-4-ylmethyl)indol-3-yl]acetic acid
CID 22071716
1-(4-hydroxyphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
CID 14027756
ethyl 6-bromo-4-oxo-1-(pyridin-4-ylmethyl)-1,7-naphthyridine-3-carboxylate
CID 87918839
1-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]-4-oxo-1,7-naphthyridine-3-carboxylic acid
CID 46885877
6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxylic acid
CID 82419564
3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazole-4-carboxylic acid
CID 43565537

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxylic acid (CID 114038878) is 6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxylic acid is Cc1cc(=O)c(C(=O)O)cn1Cc1ccncc1.
What is the InChIKey of 6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxylic acid?
The InChIKey is NNYICDYJRUEMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-9-6-12(16)11(13(17)18)8-15(9)7-10-2-4-14-5-3-10/h2-6,8H,7H2,1H3,(H,17,18).
What are the key properties of 6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxylic acid?
6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 114038878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).