3-methoxy-5-[[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]carbamoyl]benzoic acid

C18H20N2O4 — CID 126439867

IUPAC3-methoxy-5-[[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]carbamoyl]benzoic acid
SMILESCOc1cc(C(=O)O)cc(C(=O)N[C@H](C)Cc2ncccc2C)c1
InChIInChI=1S/C18H20N2O4/c1-11-5-4-6-19-16(11)7-12(2)20-17(21)13-8-14(18(22)23)10-15(9-13)24-3/h4-6,8-10,12H,7H2,1-3H3,(H,20,21)(H,22,23)/t12-/m1/s1
InChIKeyWTRWWYMALLGDGF-GFCCVEGCSA-N
MW328.37 g/mol
LogP2.46
Rot. Bonds6

About 3-methoxy-5-[[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]carbamoyl]benzoic acid

3-methoxy-5-[[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]carbamoyl]benzoic acid (PubChem CID 126439867) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-methoxy-5-[[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name3-methoxy-5-[[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]carbamoyl]benzoic acid
PubChem CID126439867
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name3-methoxy-5-[[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]carbamoyl]benzoic acid
SMILESCOc1cc(C(=O)O)cc(C(=O)N[C@H](C)Cc2ncccc2C)c1
InChIInChI=1S/C18H20N2O4/c1-11-5-4-6-19-16(11)7-12(2)20-17(21)13-8-14(18(22)23)10-15(9-13)24-3/h4-6,8-10,12H,7H2,1-3H3,(H,20,21)(H,22,23)/t12-/m1/s1
InChIKeyWTRWWYMALLGDGF-GFCCVEGCSA-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

Analyze 3-methoxy-5-[[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]carbamoyl]benzoic acid with MolForge

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Related Compounds

3-methoxy-5-[[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]carbamoyl]benzoic acid
CID 126431758
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CID 97130600
N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2H-benzotriazole-5-carboxamide
CID 99973339
N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-3-pyrazol-1-ylbenzamide
CID 56743823
2-(dimethylamino)-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]pyridine-3-carboxamide
CID 125166898
2-[(3-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid
CID 115982240
3-(4-amino-5-methylpyrimidin-2-yl)-5-fluoro-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 169410706
N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 118788788
5-(difluoromethyl)-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide
CID 125173476
3-[(3-methyl-2-pyridinyl)methylcarbamoyl]benzoic acid
CID 63309087
1-(3,5-dimethoxyphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446680
methyl 4-methyl-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pentanoate
CID 107148609

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]carbamoyl]benzoic acid?
The IUPAC name of 3-methoxy-5-[[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]carbamoyl]benzoic acid (CID 126439867) is 3-methoxy-5-[[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]carbamoyl]benzoic acid.
What is the SMILES notation for 3-methoxy-5-[[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]carbamoyl]benzoic acid?
The canonical SMILES for 3-methoxy-5-[[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]carbamoyl]benzoic acid is COc1cc(C(=O)O)cc(C(=O)N[C@H](C)Cc2ncccc2C)c1.
What is the InChIKey of 3-methoxy-5-[[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]carbamoyl]benzoic acid?
The InChIKey is WTRWWYMALLGDGF-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-11-5-4-6-19-16(11)7-12(2)20-17(21)13-8-14(18(22)23)10-15(9-13)24-3/h4-6,8-10,12H,7H2,1-3H3,(H,20,21)(H,22,23)/t12-/m1/s1.
What are the key properties of 3-methoxy-5-[[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]carbamoyl]benzoic acid?
3-methoxy-5-[[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]carbamoyl]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 3-methoxy-5-[[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]carbamoyl]benzoic acid is sourced from PubChem (CID 126439867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).