5-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]-4-methylpyridine-3-carboxylic acid

C19H22N2O4 — CID 146143174

IUPAC5-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]-4-methylpyridine-3-carboxylic acid
SMILESCOc1ccccc1CC(C)N(C)C(=O)c1cncc(C(=O)O)c1C
InChIInChI=1S/C19H22N2O4/c1-12(9-14-7-5-6-8-17(14)25-4)21(3)18(22)15-10-20-11-16(13(15)2)19(23)24/h5-8,10-12H,9H2,1-4H3,(H,23,24)
InChIKeyRRXHLIFCMUMVLX-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.80
Rot. Bonds6

About 5-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]-4-methylpyridine-3-carboxylic acid

5-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]-4-methylpyridine-3-carboxylic acid (PubChem CID 146143174) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]-4-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]-4-methylpyridine-3-carboxylic acid
PubChem CID146143174
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name5-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]-4-methylpyridine-3-carboxylic acid
SMILESCOc1ccccc1CC(C)N(C)C(=O)c1cncc(C(=O)O)c1C
InChIInChI=1S/C19H22N2O4/c1-12(9-14-7-5-6-8-17(14)25-4)21(3)18(22)15-10-20-11-16(13(15)2)19(23)24/h5-8,10-12H,9H2,1-4H3,(H,23,24)
InChIKeyRRXHLIFCMUMVLX-UHFFFAOYSA-N
XLogP2.80
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethyl-4-phenylpyrimidine-5-carboxamide
CID 99939494
N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N,6-dimethylpyridine-2-carboxamide
CID 96567463
N-[1-(2-methoxyphenyl)propan-2-yl]-N,6-dimethylpyridine-2-carboxamide
CID 71994211
2-[2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]-methylcarbamoyl]anilino]acetic acid
CID 95127217
3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
CID 71994436
N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methylquinoline-8-carboxamide
CID 96567455
1-[1-(2-methoxyphenyl)propan-2-yl]-1-methyl-3-propylurea
CID 115660984
methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate
CID 112617368
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyrrolidine-1-carboxamide
CID 115665268
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride
CID 119319100
2-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethylpropanamide
CID 103029189
ethyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoate
CID 65486472

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]-4-methylpyridine-3-carboxylic acid?
The IUPAC name of 5-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]-4-methylpyridine-3-carboxylic acid (CID 146143174) is 5-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]-4-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]-4-methylpyridine-3-carboxylic acid?
The canonical SMILES for 5-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]-4-methylpyridine-3-carboxylic acid is COc1ccccc1CC(C)N(C)C(=O)c1cncc(C(=O)O)c1C.
What is the InChIKey of 5-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]-4-methylpyridine-3-carboxylic acid?
The InChIKey is RRXHLIFCMUMVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-12(9-14-7-5-6-8-17(14)25-4)21(3)18(22)15-10-20-11-16(13(15)2)19(23)24/h5-8,10-12H,9H2,1-4H3,(H,23,24).
What are the key properties of 5-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]-4-methylpyridine-3-carboxylic acid?
5-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]-4-methylpyridine-3-carboxylic acid has a molecular weight of 342.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]-4-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 146143174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).