4-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid

C19H20N2O5 — CID 119182039

IUPAC4-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCc1ccc(NC(=O)c2ccnc(C(=O)O)c2)c(OCC2CCCO2)c1
InChIInChI=1S/C19H20N2O5/c1-12-4-5-15(17(9-12)26-11-14-3-2-8-25-14)21-18(22)13-6-7-20-16(10-13)19(23)24/h4-7,9-10,14H,2-3,8,11H2,1H3,(H,21,22)(H,23,24)
InChIKeyMQRRHEWIMADBIH-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.90
Rot. Bonds6

About 4-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid

4-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 119182039) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID119182039
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name4-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCc1ccc(NC(=O)c2ccnc(C(=O)O)c2)c(OCC2CCCO2)c1
InChIInChI=1S/C19H20N2O5/c1-12-4-5-15(17(9-12)26-11-14-3-2-8-25-14)21-18(22)13-6-7-20-16(10-13)19(23)24/h4-7,9-10,14H,2-3,8,11H2,1H3,(H,21,22)(H,23,24)
InChIKeyMQRRHEWIMADBIH-UHFFFAOYSA-N
XLogP2.90
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide
CID 60574803
5-[[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]furan-2-carboxylic acid
CID 129466833
4-(aminomethyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 119300251
2-ethyl-5-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]furan-3-carboxylic acid
CID 120821321
N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide
CID 166192418
4-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-3-nitrobenzamide
CID 60574876
3-methyl-N-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide
CID 94621924
1-methyl-3-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95259007
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
N-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-5-nitrofuran-2-carboxamide
CID 94646470
4-N-(2,4-dimethoxyphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083355
N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119743239

Frequently Asked Questions

What is the IUPAC name of 4-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid (CID 119182039) is 4-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid is Cc1ccc(NC(=O)c2ccnc(C(=O)O)c2)c(OCC2CCCO2)c1.
What is the InChIKey of 4-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is MQRRHEWIMADBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-12-4-5-15(17(9-12)26-11-14-3-2-8-25-14)21-18(22)13-6-7-20-16(10-13)19(23)24/h4-7,9-10,14H,2-3,8,11H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 4-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid?
4-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 356.38 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119182039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).