methyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate

C15H14N2O3 — CID 171703679

IUPACmethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C15H14N2O3/c1-10-4-3-5-11(8-10)14(18)17-13-9-12(6-7-16-13)15(19)20-2/h3-9H,1-2H3,(H,16,17,18)
InChIKeyTZNLCMXQHADWJF-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.43
Rot. Bonds3

About methyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate

methyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate (PubChem CID 171703679) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is methyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
PubChem CID171703679
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Namemethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C15H14N2O3/c1-10-4-3-5-11(8-10)14(18)17-13-9-12(6-7-16-13)15(19)20-2/h3-9H,1-2H3,(H,16,17,18)
InChIKeyTZNLCMXQHADWJF-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

ethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
CID 108731954
methyl 3-[[4-[(3,5-dimethylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109176715
methyl 3-[[4-[(3-methylphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109169805
methyl 3-[(5-methyl-2-pyridinyl)carbamoyl]benzoate
CID 108799744
methyl 2-(propanoylamino)pyridine-4-carboxylate
CID 67508364
methyl 3-[(6-methyl-2-pyridinyl)carbamoyl]benzoate
CID 108799748
methyl 4-chloro-3-[[6-[(3-methylbenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113049534
methyl 3-[(4-methylpyridine-2-carbonyl)amino]benzoate
CID 110861657
N-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109176276
ethyl 2-[(2,6-dimethoxybenzoyl)amino]pyridine-4-carboxylate
CID 108755443
ethyl 2-(pyridine-3-carbonylamino)pyridine-4-carboxylate
CID 108755424
methyl 2-[(3-methylbenzoyl)amino]-3H-benzimidazole-5-carboxylate
CID 169214807

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate (CID 171703679) is methyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate is COC(=O)c1ccnc(NC(=O)c2cccc(C)c2)c1.
What is the InChIKey of methyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate?
The InChIKey is TZNLCMXQHADWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-4-3-5-11(8-10)14(18)17-13-9-12(6-7-16-13)15(19)20-2/h3-9H,1-2H3,(H,16,17,18).
What are the key properties of methyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate?
methyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate 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 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 171703679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).