methyl 3-[(6-fluoropyridine-3-carbonyl)amino]-4-methylbenzoate

C15H13FN2O3 — CID 63972775

IUPACmethyl 3-[(6-fluoropyridine-3-carbonyl)amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2ccc(F)nc2)c1
InChIInChI=1S/C15H13FN2O3/c1-9-3-4-10(15(20)21-2)7-12(9)18-14(19)11-5-6-13(16)17-8-11/h3-8H,1-2H3,(H,18,19)
InChIKeyHECHXSXQSHREQN-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.57
Rot. Bonds3

About methyl 3-[(6-fluoropyridine-3-carbonyl)amino]-4-methylbenzoate

methyl 3-[(6-fluoropyridine-3-carbonyl)amino]-4-methylbenzoate (PubChem CID 63972775) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is methyl 3-[(6-fluoropyridine-3-carbonyl)amino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[(6-fluoropyridine-3-carbonyl)amino]-4-methylbenzoate
PubChem CID63972775
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Namemethyl 3-[(6-fluoropyridine-3-carbonyl)amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2ccc(F)nc2)c1
InChIInChI=1S/C15H13FN2O3/c1-9-3-4-10(15(20)21-2)7-12(9)18-14(19)11-5-6-13(16)17-8-11/h3-8H,1-2H3,(H,18,19)
InChIKeyHECHXSXQSHREQN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(3,5-difluorobenzoyl)amino]-4-methylbenzoate
CID 8919868
methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate
CID 737265
methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
CID 16604939
6-fluoro-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide
CID 63978415
methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate
CID 30846823
methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate
CID 967197
N-(2,5-dichloro-4-methylphenyl)-6-fluoropyridine-3-carboxamide
CID 115761018
methyl 4-methyl-3-[(2,3,4,5-tetrafluorobenzoyl)amino]benzoate
CID 7920475
methyl 4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoate
CID 67125591
methyl 3-(methoxycarbonylamino)-4-methylbenzoate
CID 17172948
methyl 4-methyl-3-[(2,4,6-trimethylbenzoyl)amino]benzoate
CID 9439805
methyl 3-[(4-acetyloxybenzoyl)amino]-4-methylbenzoate
CID 9349702

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-fluoropyridine-3-carbonyl)amino]-4-methylbenzoate?
The IUPAC name of methyl 3-[(6-fluoropyridine-3-carbonyl)amino]-4-methylbenzoate (CID 63972775) is methyl 3-[(6-fluoropyridine-3-carbonyl)amino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[(6-fluoropyridine-3-carbonyl)amino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[(6-fluoropyridine-3-carbonyl)amino]-4-methylbenzoate is COC(=O)c1ccc(C)c(NC(=O)c2ccc(F)nc2)c1.
What is the InChIKey of methyl 3-[(6-fluoropyridine-3-carbonyl)amino]-4-methylbenzoate?
The InChIKey is HECHXSXQSHREQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-9-3-4-10(15(20)21-2)7-12(9)18-14(19)11-5-6-13(16)17-8-11/h3-8H,1-2H3,(H,18,19).
What are the key properties of methyl 3-[(6-fluoropyridine-3-carbonyl)amino]-4-methylbenzoate?
methyl 3-[(6-fluoropyridine-3-carbonyl)amino]-4-methylbenzoate 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 3-[(6-fluoropyridine-3-carbonyl)amino]-4-methylbenzoate is sourced from PubChem (CID 63972775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).