methyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride

C14H13ClN2O3 — CID 110756565

IUPACmethyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride
SMILESCOC(=O)c1ccc(NC(=O)c2ccncc2)cc1.Cl
InChIInChI=1S/C14H12N2O3.ClH/c1-19-14(18)11-2-4-12(5-3-11)16-13(17)10-6-8-15-9-7-10;/h2-9H,1H3,(H,16,17);1H
InChIKeyRJMOFBCNUOZOCA-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.54
Rot. Bonds3

About methyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride

methyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride (PubChem CID 110756565) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is methyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride
PubChem CID110756565
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Namemethyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride
SMILESCOC(=O)c1ccc(NC(=O)c2ccncc2)cc1.Cl
InChIInChI=1S/C14H12N2O3.ClH/c1-19-14(18)11-2-4-12(5-3-11)16-13(17)10-6-8-15-9-7-10;/h2-9H,1H3,(H,16,17);1H
InChIKeyRJMOFBCNUOZOCA-UHFFFAOYSA-N
XLogP2.54
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[4-(pyridin-4-ylsulfamoyl)benzoyl]amino]benzoate
CID 39393529
methyl 4-[[4-[(4-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 3353390
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
methyl 4-[(4-carbamoylbenzoyl)amino]benzoate
CID 30845691
methyl 4-[(4-carbamoylphenyl)carbamoyl]benzoate
CID 5085217
methyl 4-[(2-fluoropyridine-4-carbonyl)amino]benzoate
CID 61292895
1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 171423296
methyl 4-[(4-aminopyridine-3-carbonyl)amino]benzoate
CID 110861759
hexyl 4-(pyridine-4-carbonylamino)benzoate
CID 19171743
methyl 4-[[4-(methanesulfonamido)benzoyl]amino]benzoate
CID 967516
methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate
CID 737265

Frequently Asked Questions

What is the IUPAC name of methyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride?
The IUPAC name of methyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride (CID 110756565) is methyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride.
What is the SMILES notation for methyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride?
The canonical SMILES for methyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride is COC(=O)c1ccc(NC(=O)c2ccncc2)cc1.Cl.
What is the InChIKey of methyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride?
The InChIKey is RJMOFBCNUOZOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3.ClH/c1-19-14(18)11-2-4-12(5-3-11)16-13(17)10-6-8-15-9-7-10;/h2-9H,1H3,(H,16,17);1H.
What are the key properties of methyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride?
methyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride has a molecular weight of 292.72 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride is sourced from PubChem (CID 110756565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).