2-methoxy-4-methyl-5-(1-pyridin-3-ylpropan-2-ylcarbamoyl)benzoic acid

C18H20N2O4 — CID 167897060

IUPAC2-methoxy-4-methyl-5-(1-pyridin-3-ylpropan-2-ylcarbamoyl)benzoic acid
SMILESCOc1cc(C)c(C(=O)NC(C)Cc2cccnc2)cc1C(=O)O
InChIInChI=1S/C18H20N2O4/c1-11-7-16(24-3)15(18(22)23)9-14(11)17(21)20-12(2)8-13-5-4-6-19-10-13/h4-7,9-10,12H,8H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyUJYVJDXRLKWAHW-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.46
Rot. Bonds6

About 2-methoxy-4-methyl-5-(1-pyridin-3-ylpropan-2-ylcarbamoyl)benzoic acid

2-methoxy-4-methyl-5-(1-pyridin-3-ylpropan-2-ylcarbamoyl)benzoic acid (PubChem CID 167897060) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-methoxy-4-methyl-5-(1-pyridin-3-ylpropan-2-ylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2-methoxy-4-methyl-5-(1-pyridin-3-ylpropan-2-ylcarbamoyl)benzoic acid
PubChem CID167897060
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-methoxy-4-methyl-5-(1-pyridin-3-ylpropan-2-ylcarbamoyl)benzoic acid
SMILESCOc1cc(C)c(C(=O)NC(C)Cc2cccnc2)cc1C(=O)O
InChIInChI=1S/C18H20N2O4/c1-11-7-16(24-3)15(18(22)23)9-14(11)17(21)20-12(2)8-13-5-4-6-19-10-13/h4-7,9-10,12H,8H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyUJYVJDXRLKWAHW-UHFFFAOYSA-N
XLogP2.46
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[(2S)-1-phenylpropan-2-yl]naphthalene-2-carboxamide
CID 706056
2-methylsulfanyl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyridine-3-carboxamide
CID 99927418
5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 42516266
3-(3,4-dimethylphenyl)-N-(1-pyridin-3-ylpropan-2-yl)propanamide
CID 86286437
2-oxo-N-(1-pyridin-3-ylpropan-2-yl)chromene-3-carboxamide
CID 171388211
5-[(3,4-dimethylphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 24790241
5-[(2,6-dimethylphenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 42291545
3,4-dimethoxy-N-(1-phenylpropan-2-yl)benzamide
CID 2843229
2-(3-methoxyphenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,3-benzoxazole-6-carboxamide
CID 42521796
2-[(2-methylbenzoyl)amino]-3-pyridin-3-ylpropanoic acid
CID 166310358
2-ethyl-N-(1-pyridin-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 90653792
5-[(3-methoxyphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 45202237

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-5-(1-pyridin-3-ylpropan-2-ylcarbamoyl)benzoic acid?
The IUPAC name of 2-methoxy-4-methyl-5-(1-pyridin-3-ylpropan-2-ylcarbamoyl)benzoic acid (CID 167897060) is 2-methoxy-4-methyl-5-(1-pyridin-3-ylpropan-2-ylcarbamoyl)benzoic acid.
What is the SMILES notation for 2-methoxy-4-methyl-5-(1-pyridin-3-ylpropan-2-ylcarbamoyl)benzoic acid?
The canonical SMILES for 2-methoxy-4-methyl-5-(1-pyridin-3-ylpropan-2-ylcarbamoyl)benzoic acid is COc1cc(C)c(C(=O)NC(C)Cc2cccnc2)cc1C(=O)O.
What is the InChIKey of 2-methoxy-4-methyl-5-(1-pyridin-3-ylpropan-2-ylcarbamoyl)benzoic acid?
The InChIKey is UJYVJDXRLKWAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-11-7-16(24-3)15(18(22)23)9-14(11)17(21)20-12(2)8-13-5-4-6-19-10-13/h4-7,9-10,12H,8H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 2-methoxy-4-methyl-5-(1-pyridin-3-ylpropan-2-ylcarbamoyl)benzoic acid?
2-methoxy-4-methyl-5-(1-pyridin-3-ylpropan-2-ylcarbamoyl)benzoic acid has a molecular weight of 328.37 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-5-(1-pyridin-3-ylpropan-2-ylcarbamoyl)benzoic acid is sourced from PubChem (CID 167897060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).