methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate

C16H18N2O4 — CID 39782603

IUPACmethyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NCc2ccc(OC)cc2OC)c1
InChIInChI=1S/C16H18N2O4/c1-20-13-5-4-12(14(9-13)21-2)10-18-15-8-11(6-7-17-15)16(19)22-3/h4-9H,10H2,1-3H3,(H,17,18)
InChIKeyLKKOQPMPAKUYCT-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.50
Rot. Bonds6

About methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate

methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate (PubChem CID 39782603) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate
PubChem CID39782603
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Namemethyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NCc2ccc(OC)cc2OC)c1
InChIInChI=1S/C16H18N2O4/c1-20-13-5-4-12(14(9-13)21-2)10-18-15-8-11(6-7-17-15)16(19)22-3/h4-9H,10H2,1-3H3,(H,17,18)
InChIKeyLKKOQPMPAKUYCT-UHFFFAOYSA-N
XLogP2.50
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 60966861
methyl 3-[[2-[(2-methoxyphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate
CID 109171161
N-[(2,4-dimethoxyphenyl)methyl]-4,5-diiodopyridin-2-amine
CID 167328439
2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 107553954
ethyl 4-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate
CID 154640277
N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;ethane
CID 145306239
2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid
CID 83834716
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
methyl 2-(2-aminoethylamino)pyridine-4-carboxylate
CID 83830934
methyl 2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]pyridine-4-carboxylate
CID 155916138
2-[(5-amino-2-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 61014190
N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3,4,5-trimethoxybenzamide
CID 110179316

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate (CID 39782603) is methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate is COC(=O)c1ccnc(NCc2ccc(OC)cc2OC)c1.
What is the InChIKey of methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate?
The InChIKey is LKKOQPMPAKUYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-20-13-5-4-12(14(9-13)21-2)10-18-15-8-11(6-7-17-15)16(19)22-3/h4-9H,10H2,1-3H3,(H,17,18).
What are the key properties of methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate?
methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate is sourced from PubChem (CID 39782603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).