methyl 3-(4-pyridin-3-ylanilino)benzoate

C19H16N2O2 — CID 164589559

IUPACmethyl 3-(4-pyridin-3-ylanilino)benzoate
SMILESCOC(=O)c1cccc(Nc2ccc(-c3cccnc3)cc2)c1
InChIInChI=1S/C19H16N2O2/c1-23-19(22)15-4-2-6-18(12-15)21-17-9-7-14(8-10-17)16-5-3-11-20-13-16/h2-13,21H,1H3
InChIKeyIFCRCILWAMBJOH-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.28
Rot. Bonds4

About methyl 3-(4-pyridin-3-ylanilino)benzoate

methyl 3-(4-pyridin-3-ylanilino)benzoate (PubChem CID 164589559) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is methyl 3-(4-pyridin-3-ylanilino)benzoate.

Molecular Properties

Compound Namemethyl 3-(4-pyridin-3-ylanilino)benzoate
PubChem CID164589559
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Namemethyl 3-(4-pyridin-3-ylanilino)benzoate
SMILESCOC(=O)c1cccc(Nc2ccc(-c3cccnc3)cc2)c1
InChIInChI=1S/C19H16N2O2/c1-23-19(22)15-4-2-6-18(12-15)21-17-9-7-14(8-10-17)16-5-3-11-20-13-16/h2-13,21H,1H3
InChIKeyIFCRCILWAMBJOH-UHFFFAOYSA-N
XLogP4.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-3-(4-pyridin-3-ylanilino)benzamide
CID 164589782
ethane;formamide;methyl 3-(pyridin-4-ylamino)benzoate
CID 143301248
methyl 3-[[5-pyridin-3-yl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzoate
CID 134459655
(111C)methyl pyridine-3-carboxylate
CID 11309537
methyl 3-pyridin-4-ylbenzoate
CID 5152687
N-[4-(3-methoxyanilino)phenyl]pyridine-3-carboxamide
CID 112987448
methyl 4-methoxy-3-pyridin-3-ylbenzoate
CID 46317451
methyl 3-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzoate
CID 80555016
methyl 3-[(pyridin-3-ylmethylideneamino)carbamothioylamino]benzoate
CID 728286
methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoate
CID 4073777
methyl 3-[[4-[5-[2-(3-methoxycarbonylanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzoate
CID 139227752
methyl 3-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzoate
CID 110330457

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-pyridin-3-ylanilino)benzoate?
The IUPAC name of methyl 3-(4-pyridin-3-ylanilino)benzoate (CID 164589559) is methyl 3-(4-pyridin-3-ylanilino)benzoate.
What is the SMILES notation for methyl 3-(4-pyridin-3-ylanilino)benzoate?
The canonical SMILES for methyl 3-(4-pyridin-3-ylanilino)benzoate is COC(=O)c1cccc(Nc2ccc(-c3cccnc3)cc2)c1.
What is the InChIKey of methyl 3-(4-pyridin-3-ylanilino)benzoate?
The InChIKey is IFCRCILWAMBJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-23-19(22)15-4-2-6-18(12-15)21-17-9-7-14(8-10-17)16-5-3-11-20-13-16/h2-13,21H,1H3.
What are the key properties of methyl 3-(4-pyridin-3-ylanilino)benzoate?
methyl 3-(4-pyridin-3-ylanilino)benzoate has a molecular weight of 304.35 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-pyridin-3-ylanilino)benzoate is sourced from PubChem (CID 164589559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).