methyl 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoate

C15H13BrN2O3 — CID 62954229

IUPACmethyl 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(Br)cn2)c(C)c1
InChIInChI=1S/C15H13BrN2O3/c1-9-7-10(15(20)21-2)3-5-12(9)18-14(19)13-6-4-11(16)8-17-13/h3-8H,1-2H3,(H,18,19)
InChIKeyOIVJZQLRDZMWGY-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.19
Rot. Bonds3

About methyl 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoate

methyl 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoate (PubChem CID 62954229) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is methyl 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoate
PubChem CID62954229
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Namemethyl 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(Br)cn2)c(C)c1
InChIInChI=1S/C15H13BrN2O3/c1-9-7-10(15(20)21-2)3-5-12(9)18-14(19)13-6-4-11(16)8-17-13/h3-8H,1-2H3,(H,18,19)
InChIKeyOIVJZQLRDZMWGY-UHFFFAOYSA-N
XLogP3.19
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoic acid
CID 62959114
methyl 3-[(5-bromopyridine-2-carbonyl)amino]-4-fluorobenzoate
CID 62953371
methyl 3-[(5-bromopyridine-2-carbonyl)amino]benzoate
CID 62958863
methyl 4-[[6-[(4-chloro-2-methylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199430
methyl 4-[(3,5-dichlorobenzoyl)amino]-3-methylbenzoate
CID 35248663
methyl 4-[(5-bromo-3-methyl-1-benzofuran-2-carbonyl)amino]-3-methylbenzoate
CID 36930678
methyl 5-bromopyridine-2-carboxylate
CID 7016458
methyl 4-[(5-hydroxypyridine-3-carbonyl)amino]-3-methylbenzoate
CID 63859252
methyl 4-[(5-chloropyridine-2-carbonyl)amino]-3-fluorobenzoate
CID 122140941
methyl 4-[(2-chloropyridine-3-carbonyl)amino]-3-methylbenzoate
CID 60722400
methyl 4-[[2-(4-bromophenyl)sulfanylpyridine-3-carbonyl]amino]-3-methylbenzoate
CID 55538146
ethane;methyl 5-bromopyridine-2-carboxylate
CID 143416930

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoate?
The IUPAC name of methyl 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoate (CID 62954229) is methyl 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoate.
What is the SMILES notation for methyl 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoate?
The canonical SMILES for methyl 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoate is COC(=O)c1ccc(NC(=O)c2ccc(Br)cn2)c(C)c1.
What is the InChIKey of methyl 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoate?
The InChIKey is OIVJZQLRDZMWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-9-7-10(15(20)21-2)3-5-12(9)18-14(19)13-6-4-11(16)8-17-13/h3-8H,1-2H3,(H,18,19).
What are the key properties of methyl 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoate?
methyl 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoate has a molecular weight of 349.18 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoate is sourced from PubChem (CID 62954229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).