methyl 2-acetamido-4-(3-methylphenyl)pyridine-3-carboxylate

C16H16N2O3 — CID 67694601

IUPACmethyl 2-acetamido-4-(3-methylphenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2cccc(C)c2)ccnc1NC(C)=O
InChIInChI=1S/C16H16N2O3/c1-10-5-4-6-12(9-10)13-7-8-17-15(18-11(2)19)14(13)16(20)21-3/h4-9H,1-3H3,(H,17,18,19)
InChIKeyBULAFIJKGRBYBD-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.80
Rot. Bonds3

About methyl 2-acetamido-4-(3-methylphenyl)pyridine-3-carboxylate

methyl 2-acetamido-4-(3-methylphenyl)pyridine-3-carboxylate (PubChem CID 67694601) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is methyl 2-acetamido-4-(3-methylphenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-acetamido-4-(3-methylphenyl)pyridine-3-carboxylate
PubChem CID67694601
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Namemethyl 2-acetamido-4-(3-methylphenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2cccc(C)c2)ccnc1NC(C)=O
InChIInChI=1S/C16H16N2O3/c1-10-5-4-6-12(9-10)13-7-8-17-15(18-11(2)19)14(13)16(20)21-3/h4-9H,1-3H3,(H,17,18,19)
InChIKeyBULAFIJKGRBYBD-UHFFFAOYSA-N
XLogP2.80
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-4-(3-methylphenyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-acetamido-4-(3-methylphenyl)pyridine-3-carboxylate (CID 67694601) is methyl 2-acetamido-4-(3-methylphenyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-acetamido-4-(3-methylphenyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-acetamido-4-(3-methylphenyl)pyridine-3-carboxylate is COC(=O)c1c(-c2cccc(C)c2)ccnc1NC(C)=O.
What is the InChIKey of methyl 2-acetamido-4-(3-methylphenyl)pyridine-3-carboxylate?
The InChIKey is BULAFIJKGRBYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-5-4-6-12(9-10)13-7-8-17-15(18-11(2)19)14(13)16(20)21-3/h4-9H,1-3H3,(H,17,18,19).
What are the key properties of methyl 2-acetamido-4-(3-methylphenyl)pyridine-3-carboxylate?
methyl 2-acetamido-4-(3-methylphenyl)pyridine-3-carboxylate has a molecular weight of 284.31 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-4-(3-methylphenyl)pyridine-3-carboxylate is sourced from PubChem (CID 67694601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).