methyl 2-(3-methoxyanilino)pyridine-4-carboxylate

C14H14N2O3 — CID 68663874

IUPACmethyl 2-(3-methoxyanilino)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(Nc2cccc(OC)c2)c1
InChIInChI=1S/C14H14N2O3/c1-18-12-5-3-4-11(9-12)16-13-8-10(6-7-15-13)14(17)19-2/h3-9H,1-2H3,(H,15,16)
InChIKeyXMPJMTXVXXOCTO-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.62
Rot. Bonds4

About methyl 2-(3-methoxyanilino)pyridine-4-carboxylate

methyl 2-(3-methoxyanilino)pyridine-4-carboxylate (PubChem CID 68663874) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is methyl 2-(3-methoxyanilino)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-methoxyanilino)pyridine-4-carboxylate
PubChem CID68663874
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Namemethyl 2-(3-methoxyanilino)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(Nc2cccc(OC)c2)c1
InChIInChI=1S/C14H14N2O3/c1-18-12-5-3-4-11(9-12)16-13-8-10(6-7-15-13)14(17)19-2/h3-9H,1-2H3,(H,15,16)
InChIKeyXMPJMTXVXXOCTO-UHFFFAOYSA-N
XLogP2.62
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166806
N-(3-bromophenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109178014
2-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177974
N-(2,6-difluorophenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109178031
2-(3-chloroanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177464
N-[2-(3-methoxyanilino)-4-pyridinyl]hydroxylamine
CID 170189455
N-(2-ethyl-6-methylphenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109176999
ethyl 4-[[2-(3-methoxyanilino)pyridine-4-carbonyl]amino]benzoate
CID 109178018
N-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109170897
N-[3-(dimethylamino)propyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109168244
N-(2-tert-butylphenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109177158
methyl 3-[[4-[(3,5-dimethylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109176715

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methoxyanilino)pyridine-4-carboxylate?
The IUPAC name of methyl 2-(3-methoxyanilino)pyridine-4-carboxylate (CID 68663874) is methyl 2-(3-methoxyanilino)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(3-methoxyanilino)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(3-methoxyanilino)pyridine-4-carboxylate is COC(=O)c1ccnc(Nc2cccc(OC)c2)c1.
What is the InChIKey of methyl 2-(3-methoxyanilino)pyridine-4-carboxylate?
The InChIKey is XMPJMTXVXXOCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-18-12-5-3-4-11(9-12)16-13-8-10(6-7-15-13)14(17)19-2/h3-9H,1-2H3,(H,15,16).
What are the key properties of methyl 2-(3-methoxyanilino)pyridine-4-carboxylate?
methyl 2-(3-methoxyanilino)pyridine-4-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methoxyanilino)pyridine-4-carboxylate is sourced from PubChem (CID 68663874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).