methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate

C15H14N2O3 — CID 737265

IUPACmethyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2ccncc2)c1
InChIInChI=1S/C15H14N2O3/c1-10-3-4-12(15(19)20-2)9-13(10)17-14(18)11-5-7-16-8-6-11/h3-9H,1-2H3,(H,17,18)
InChIKeyRJKNNQVKQDHRQK-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.43
Rot. Bonds3

About methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate

methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate (PubChem CID 737265) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate
PubChem CID737265
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Namemethyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2ccncc2)c1
InChIInChI=1S/C15H14N2O3/c1-10-3-4-12(15(19)20-2)9-13(10)17-14(18)11-5-7-16-8-6-11/h3-9H,1-2H3,(H,17,18)
InChIKeyRJKNNQVKQDHRQK-UHFFFAOYSA-N
XLogP2.43
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate
CID 30846823
N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide
CID 163197723
methyl 3-[(4-acetyloxybenzoyl)amino]-4-methylbenzoate
CID 9349702
methyl 4-methyl-3-[(2-methylpyrazole-3-carbonyl)amino]benzoate
CID 6467487
methyl 3-[(3,5-difluorobenzoyl)amino]-4-methylbenzoate
CID 8919868
methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate
CID 967197
methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
CID 16604939
methyl 3-[(6-fluoropyridine-3-carbonyl)amino]-4-methylbenzoate
CID 63972775
methyl 3-(methoxycarbonylamino)-4-methylbenzoate
CID 17172948
methyl 4-methyl-3-[(2,4,6-trimethylbenzoyl)amino]benzoate
CID 9439805
methyl 3-[[4-(acetamidomethyl)benzoyl]amino]-4-methylbenzoate
CID 17439157
methyl 4-methyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzoate
CID 4822407

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate?
The IUPAC name of methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate (CID 737265) is methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate.
What is the SMILES notation for methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate?
The canonical SMILES for methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate is COC(=O)c1ccc(C)c(NC(=O)c2ccncc2)c1.
What is the InChIKey of methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate?
The InChIKey is RJKNNQVKQDHRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-3-4-12(15(19)20-2)9-13(10)17-14(18)11-5-7-16-8-6-11/h3-9H,1-2H3,(H,17,18).
What are the key properties of methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate?
methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate has a molecular weight of 270.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate is sourced from PubChem (CID 737265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).