methyl 3-methyl-2-[[2-(2-methylpropoxy)pyridine-3-carbonyl]amino]benzoate

C19H22N2O4 — CID 86887787

IUPACmethyl 3-methyl-2-[[2-(2-methylpropoxy)pyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(C)c1NC(=O)c1cccnc1OCC(C)C
InChIInChI=1S/C19H22N2O4/c1-12(2)11-25-18-15(9-6-10-20-18)17(22)21-16-13(3)7-5-8-14(16)19(23)24-4/h5-10,12H,11H2,1-4H3,(H,21,22)
InChIKeyKSVLXWOEXSMNPJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.46
Rot. Bonds6

About methyl 3-methyl-2-[[2-(2-methylpropoxy)pyridine-3-carbonyl]amino]benzoate

methyl 3-methyl-2-[[2-(2-methylpropoxy)pyridine-3-carbonyl]amino]benzoate (PubChem CID 86887787) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is methyl 3-methyl-2-[[2-(2-methylpropoxy)pyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[[2-(2-methylpropoxy)pyridine-3-carbonyl]amino]benzoate
PubChem CID86887787
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Namemethyl 3-methyl-2-[[2-(2-methylpropoxy)pyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(C)c1NC(=O)c1cccnc1OCC(C)C
InChIInChI=1S/C19H22N2O4/c1-12(2)11-25-18-15(9-6-10-20-18)17(22)21-16-13(3)7-5-8-14(16)19(23)24-4/h5-10,12H,11H2,1-4H3,(H,21,22)
InChIKeyKSVLXWOEXSMNPJ-UHFFFAOYSA-N
XLogP3.46
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxybutyl)-2-(2-methylpropoxy)pyridine-3-carboxamide
CID 111429038
2-(2-methylpropoxy)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 167890444
methyl 3-methyl-2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate
CID 86997310
N-(2,6-dichlorophenyl)-2-methoxypyridine-3-carboxamide
CID 110864324
methyl 2-[(4-iodo-3-methylbenzoyl)amino]-3-methylbenzoate
CID 86888858
2-ethoxy-N-(2,4,6-trimethyl-3-pyridinyl)pyridine-3-carboxamide
CID 78838433
2-(2-methylpropoxy)pyridine-3-carbothioamide
CID 24705507
3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid
CID 62340624
2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]pyridine-3-carboxamide
CID 134002839
methyl 2-[2-(1-ethylpiperidin-1-ium-1-yl)propanoylamino]-3-methylbenzoate
CID 158612778
2-methylpropyl 3-methyl-2-(2-methylpropoxy)benzoate
CID 141402360
N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-2-ethoxypyridine-3-carboxamide
CID 162637012

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[[2-(2-methylpropoxy)pyridine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 3-methyl-2-[[2-(2-methylpropoxy)pyridine-3-carbonyl]amino]benzoate (CID 86887787) is methyl 3-methyl-2-[[2-(2-methylpropoxy)pyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-methyl-2-[[2-(2-methylpropoxy)pyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 3-methyl-2-[[2-(2-methylpropoxy)pyridine-3-carbonyl]amino]benzoate is COC(=O)c1cccc(C)c1NC(=O)c1cccnc1OCC(C)C.
What is the InChIKey of methyl 3-methyl-2-[[2-(2-methylpropoxy)pyridine-3-carbonyl]amino]benzoate?
The InChIKey is KSVLXWOEXSMNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-12(2)11-25-18-15(9-6-10-20-18)17(22)21-16-13(3)7-5-8-14(16)19(23)24-4/h5-10,12H,11H2,1-4H3,(H,21,22).
What are the key properties of methyl 3-methyl-2-[[2-(2-methylpropoxy)pyridine-3-carbonyl]amino]benzoate?
methyl 3-methyl-2-[[2-(2-methylpropoxy)pyridine-3-carbonyl]amino]benzoate has a molecular weight of 342.40 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[[2-(2-methylpropoxy)pyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 86887787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).