methyl 4-methyl-3-[(6-methylpyridine-2-carbonyl)amino]benzoate

C16H16N2O3 — CID 32642709

IUPACmethyl 4-methyl-3-[(6-methylpyridine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2cccc(C)n2)c1
InChIInChI=1S/C16H16N2O3/c1-10-7-8-12(16(20)21-3)9-14(10)18-15(19)13-6-4-5-11(2)17-13/h4-9H,1-3H3,(H,18,19)
InChIKeyJZZQCJFUAKWAJE-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.74
Rot. Bonds3

About methyl 4-methyl-3-[(6-methylpyridine-2-carbonyl)amino]benzoate

methyl 4-methyl-3-[(6-methylpyridine-2-carbonyl)amino]benzoate (PubChem CID 32642709) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is methyl 4-methyl-3-[(6-methylpyridine-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[(6-methylpyridine-2-carbonyl)amino]benzoate
PubChem CID32642709
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Namemethyl 4-methyl-3-[(6-methylpyridine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2cccc(C)n2)c1
InChIInChI=1S/C16H16N2O3/c1-10-7-8-12(16(20)21-3)9-14(10)18-15(19)13-6-4-5-11(2)17-13/h4-9H,1-3H3,(H,18,19)
InChIKeyJZZQCJFUAKWAJE-UHFFFAOYSA-N
XLogP2.74
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(6-methylpyridine-2-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate
CID 47021822
methyl 4-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 31703569
N-(5-amino-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 16781532
methyl 3-(1H-indazole-7-carbonylamino)-4-methylbenzoate
CID 43048612
methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate
CID 737265
N-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]-2-methylphenyl]-6-methylpyridine-2-carboxamide
CID 171908662
methyl 3-(methoxycarbonylamino)-4-methylbenzoate
CID 17172948
methyl 4-methyl-3-[(2,4,6-trimethylbenzoyl)amino]benzoate
CID 9439805
methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate
CID 30846823
N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-6-methylpyridine-2-carboxamide
CID 60532137
methyl 4-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 9047543
methyl 3-[(3-chlorophenyl)carbamoylamino]-4-methylbenzoate
CID 2228342

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[(6-methylpyridine-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-methyl-3-[(6-methylpyridine-2-carbonyl)amino]benzoate (CID 32642709) is methyl 4-methyl-3-[(6-methylpyridine-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-methyl-3-[(6-methylpyridine-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-methyl-3-[(6-methylpyridine-2-carbonyl)amino]benzoate is COC(=O)c1ccc(C)c(NC(=O)c2cccc(C)n2)c1.
What is the InChIKey of methyl 4-methyl-3-[(6-methylpyridine-2-carbonyl)amino]benzoate?
The InChIKey is JZZQCJFUAKWAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-7-8-12(16(20)21-3)9-14(10)18-15(19)13-6-4-5-11(2)17-13/h4-9H,1-3H3,(H,18,19).
What are the key properties of methyl 4-methyl-3-[(6-methylpyridine-2-carbonyl)amino]benzoate?
methyl 4-methyl-3-[(6-methylpyridine-2-carbonyl)amino]benzoate has a molecular weight of 284.32 g/mol, XLogP of 2.74, 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-[(6-methylpyridine-2-carbonyl)amino]benzoate is sourced from PubChem (CID 32642709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).