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

C15H13ClN2O3 — CID 66484487

IUPACmethyl 2-[(3-chloropyridine-4-carbonyl)amino]-5-methylbenzoate
SMILESCOC(=O)c1cc(C)ccc1NC(=O)c1ccncc1Cl
InChIInChI=1S/C15H13ClN2O3/c1-9-3-4-13(11(7-9)15(20)21-2)18-14(19)10-5-6-17-8-12(10)16/h3-8H,1-2H3,(H,18,19)
InChIKeyQORZWXJCMZYXSY-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.08
Rot. Bonds3

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

methyl 2-[(3-chloropyridine-4-carbonyl)amino]-5-methylbenzoate (PubChem CID 66484487) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is methyl 2-[(3-chloropyridine-4-carbonyl)amino]-5-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-[(3-chloropyridine-4-carbonyl)amino]-5-methylbenzoate
PubChem CID66484487
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Namemethyl 2-[(3-chloropyridine-4-carbonyl)amino]-5-methylbenzoate
SMILESCOC(=O)c1cc(C)ccc1NC(=O)c1ccncc1Cl
InChIInChI=1S/C15H13ClN2O3/c1-9-3-4-13(11(7-9)15(20)21-2)18-14(19)10-5-6-17-8-12(10)16/h3-8H,1-2H3,(H,18,19)
InChIKeyQORZWXJCMZYXSY-UHFFFAOYSA-N
XLogP3.08
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-chloropyridine-4-carboxylate
CID 15324397
methyl 2-[(2-chlorofuran-3-carbonyl)amino]-5-methylbenzoate
CID 106685894
methyl 2-[(5-hydroxypyridine-3-carbonyl)amino]-5-methylbenzoate
CID 63849862
3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 66464599
3-amino-N-(2-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 105068439
2-[(3-chloropyridine-4-carbonyl)amino]-5-hydroxybenzoic acid
CID 66463779
3-chloro-N-(4-ethoxy-2-methylphenyl)pyridine-4-carboxamide
CID 66465000
5-bromo-2-[(3-chloropyridine-4-carbonyl)amino]benzoic acid
CID 66464767
N-(2-chloro-4-methylphenyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105068441
3-chloro-N-(2,3-dimethylphenyl)pyridine-4-carboxamide
CID 66462249
3-chloro-N-(2-methoxy-3-pyridinyl)pyridine-4-carboxamide
CID 66484881
methyl 2-[(3-aminopyrazine-2-carbonyl)amino]-5-methylbenzoate
CID 122136744

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-chloropyridine-4-carbonyl)amino]-5-methylbenzoate?
The IUPAC name of methyl 2-[(3-chloropyridine-4-carbonyl)amino]-5-methylbenzoate (CID 66484487) is methyl 2-[(3-chloropyridine-4-carbonyl)amino]-5-methylbenzoate.
What is the SMILES notation for methyl 2-[(3-chloropyridine-4-carbonyl)amino]-5-methylbenzoate?
The canonical SMILES for methyl 2-[(3-chloropyridine-4-carbonyl)amino]-5-methylbenzoate is COC(=O)c1cc(C)ccc1NC(=O)c1ccncc1Cl.
What is the InChIKey of methyl 2-[(3-chloropyridine-4-carbonyl)amino]-5-methylbenzoate?
The InChIKey is QORZWXJCMZYXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-9-3-4-13(11(7-9)15(20)21-2)18-14(19)10-5-6-17-8-12(10)16/h3-8H,1-2H3,(H,18,19).
What are the key properties of methyl 2-[(3-chloropyridine-4-carbonyl)amino]-5-methylbenzoate?
methyl 2-[(3-chloropyridine-4-carbonyl)amino]-5-methylbenzoate has a molecular weight of 304.73 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-chloropyridine-4-carbonyl)amino]-5-methylbenzoate is sourced from PubChem (CID 66484487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).