methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-3-carboxylate

C15H13FN2O3 — CID 31809423

IUPACmethyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(C)c(F)c2)nc1
InChIInChI=1S/C15H13FN2O3/c1-9-3-5-11(7-12(9)16)18-14(19)13-6-4-10(8-17-13)15(20)21-2/h3-8H,1-2H3,(H,18,19)
InChIKeyJDXXJJVKOVTNOS-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.57
Rot. Bonds3

About methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-3-carboxylate

methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-3-carboxylate (PubChem CID 31809423) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-3-carboxylate
PubChem CID31809423
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Namemethyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(C)c(F)c2)nc1
InChIInChI=1S/C15H13FN2O3/c1-9-3-5-11(7-12(9)16)18-14(19)13-6-4-10(8-17-13)15(20)21-2/h3-8H,1-2H3,(H,18,19)
InChIKeyJDXXJJVKOVTNOS-UHFFFAOYSA-N
XLogP2.57
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-3-carboxylate
CID 31695014
methyl 4-[[6-[(3-chloro-4-methylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199478
methyl 6-(2,3-dihydro-1H-inden-5-ylcarbamoyl)pyridine-3-carboxylate
CID 32642819
methyl 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate
CID 33442469
methyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198978
methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethoxy]benzoate
CID 7667243
6-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 114840542
methyl 6-[[3-(sulfamoylamino)phenyl]carbamoyl]pyridine-3-carboxylate
CID 55559964
methyl 4-[[6-[(4-chloro-2-methylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199430
methyl 5-[(6-methoxycarbonyl-3-pyridinyl)carbamoyl]pyridine-2-carboxylate
CID 166208657
methyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198170
6-(3,4-difluorophenyl)-N-(3-fluoro-4-methylphenyl)pyridine-3-carboxamide
CID 58639385

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-3-carboxylate (CID 31809423) is methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)Nc2ccc(C)c(F)c2)nc1.
What is the InChIKey of methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-3-carboxylate?
The InChIKey is JDXXJJVKOVTNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-9-3-5-11(7-12(9)16)18-14(19)13-6-4-10(8-17-13)15(20)21-2/h3-8H,1-2H3,(H,18,19).
What are the key properties of methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-3-carboxylate?
methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-3-carboxylate has a molecular weight of 288.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 31809423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).