methyl 4-[(2,5-difluoro-4-methylbenzoyl)amino]pyridine-2-carboxylate

C15H12F2N2O3 — CID 159924030

IUPACmethyl 4-[(2,5-difluoro-4-methylbenzoyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NC(=O)c2cc(F)c(C)cc2F)ccn1
InChIInChI=1S/C15H12F2N2O3/c1-8-5-12(17)10(7-11(8)16)14(20)19-9-3-4-18-13(6-9)15(21)22-2/h3-7H,1-2H3,(H,18,19,20)
InChIKeyNHKTUFKFCORJIO-UHFFFAOYSA-N
MW306.27 g/mol
LogP2.71
Rot. Bonds3

About methyl 4-[(2,5-difluoro-4-methylbenzoyl)amino]pyridine-2-carboxylate

methyl 4-[(2,5-difluoro-4-methylbenzoyl)amino]pyridine-2-carboxylate (PubChem CID 159924030) has the molecular formula C15H12F2N2O3 and a molecular weight of 306.27 g/mol. Its IUPAC name is methyl 4-[(2,5-difluoro-4-methylbenzoyl)amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2,5-difluoro-4-methylbenzoyl)amino]pyridine-2-carboxylate
PubChem CID159924030
Molecular FormulaC15H12F2N2O3
Molecular Weight306.27 g/mol
Exact Mass306.08
IUPAC Namemethyl 4-[(2,5-difluoro-4-methylbenzoyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NC(=O)c2cc(F)c(C)cc2F)ccn1
InChIInChI=1S/C15H12F2N2O3/c1-8-5-12(17)10(7-11(8)16)14(20)19-9-3-4-18-13(6-9)15(21)22-2/h3-7H,1-2H3,(H,18,19,20)
InChIKeyNHKTUFKFCORJIO-UHFFFAOYSA-N
XLogP2.71
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]pyridine-2-carboxylate
CID 139348053
disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride
CID 172849137
methyl 4-[(2-chloro-4-pyridinyl)carbamoylamino]pyridine-2-carboxylate
CID 168979744
4-[(2-fluoro-4-hydroxybenzoyl)amino]pyridine-2-carboxylic acid
CID 107674896
4-[(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylbenzoic acid
CID 66284982
methyl 2-[[2-[(3,4-difluorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109222267
methyl 4-methylpyridine-2-carboxylate
CID 10920693
4-(2,5-difluoro-4-methylanilino)pyridine-2-carboxylic acid
CID 103586357
methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-3-carboxylate
CID 31809423
methyl 4-[2-(2-methoxyethylamino)ethylamino]pyridine-2-carboxylate
CID 83029565
methyl 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxylate
CID 66285458
methyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]-2-fluorobenzoate
CID 71060843

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,5-difluoro-4-methylbenzoyl)amino]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[(2,5-difluoro-4-methylbenzoyl)amino]pyridine-2-carboxylate (CID 159924030) is methyl 4-[(2,5-difluoro-4-methylbenzoyl)amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[(2,5-difluoro-4-methylbenzoyl)amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[(2,5-difluoro-4-methylbenzoyl)amino]pyridine-2-carboxylate is COC(=O)c1cc(NC(=O)c2cc(F)c(C)cc2F)ccn1.
What is the InChIKey of methyl 4-[(2,5-difluoro-4-methylbenzoyl)amino]pyridine-2-carboxylate?
The InChIKey is NHKTUFKFCORJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O3/c1-8-5-12(17)10(7-11(8)16)14(20)19-9-3-4-18-13(6-9)15(21)22-2/h3-7H,1-2H3,(H,18,19,20).
What are the key properties of methyl 4-[(2,5-difluoro-4-methylbenzoyl)amino]pyridine-2-carboxylate?
methyl 4-[(2,5-difluoro-4-methylbenzoyl)amino]pyridine-2-carboxylate has a molecular weight of 306.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,5-difluoro-4-methylbenzoyl)amino]pyridine-2-carboxylate is sourced from PubChem (CID 159924030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).