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

C15H14N2O3 — CID 18148097

IUPACmethyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(C)nc2)cc1
InChIInChI=1S/C15H14N2O3/c1-10-3-4-12(9-16-10)14(18)17-13-7-5-11(6-8-13)15(19)20-2/h3-9H,1-2H3,(H,17,18)
InChIKeyIGRPCGNBOGMWMB-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.43
Rot. Bonds3

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

methyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate (PubChem CID 18148097) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is methyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
PubChem CID18148097
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Namemethyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(C)nc2)cc1
InChIInChI=1S/C15H14N2O3/c1-10-3-4-12(9-16-10)14(18)17-13-7-5-11(6-8-13)15(19)20-2/h3-9H,1-2H3,(H,17,18)
InChIKeyIGRPCGNBOGMWMB-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

propyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
CID 51331436
6-methyl-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 38477101
N-[4-(bromomethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 113274656
N-[4-(2-hydroxyethoxy)phenyl]-6-methylpyridine-3-carboxamide
CID 111113144
methyl 4-[[6-(3,5-dimethylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162688
N-[4-(2-hydroxyethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 51985113
methyl 4-[[6-(diethylamino)pyridine-3-carbonyl]amino]benzoate
CID 48650816
methyl 4-[[6-(3,4-dimethylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162644
N-(4-amino-3-bromophenyl)-6-methylpyridine-3-carboxamide
CID 82861470
N-[4-(ethylaminomethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 106910201
N-(3-chloro-4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18150443
methyl 5-[(6-methoxycarbonyl-3-pyridinyl)carbamoyl]pyridine-2-carboxylate
CID 166208657

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate (CID 18148097) is methyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccc(C)nc2)cc1.
What is the InChIKey of methyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate?
The InChIKey is IGRPCGNBOGMWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-3-4-12(9-16-10)14(18)17-13-7-5-11(6-8-13)15(19)20-2/h3-9H,1-2H3,(H,17,18).
What are the key properties of methyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate?
methyl 4-[(6-methylpyridine-3-carbonyl)amino]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-[(6-methylpyridine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 18148097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).