methyl 6-amino-2-methoxypyridine-3-carboxylate;methyl 2-methoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate

C24H28N4O7 — CID 162052936

IUPACmethyl 6-amino-2-methoxypyridine-3-carboxylate;methyl 2-methoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N)nc1OC.COC(=O)c1ccc(NCc2ccc(OC)cc2)nc1OC
InChIInChI=1S/C16H18N2O4.C8H10N2O3/c1-20-12-6-4-11(5-7-12)10-17-14-9-8-13(16(19)22-3)15(18-14)21-2;1-12-7-5(8(11)13-2)3-4-6(9)10-7/h4-9H,10H2,1-3H3,(H,17,18);3-4H,1-2H3,(H2,9,10)
InChIKeyYYUDSPGXCGBXNF-UHFFFAOYSA-N
MW484.51 g/mol
LogP2.96
Rot. Bonds8

About methyl 6-amino-2-methoxypyridine-3-carboxylate;methyl 2-methoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate

methyl 6-amino-2-methoxypyridine-3-carboxylate;methyl 2-methoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate (PubChem CID 162052936) has the molecular formula C24H28N4O7 and a molecular weight of 484.51 g/mol. Its IUPAC name is methyl 6-amino-2-methoxypyridine-3-carboxylate;methyl 2-methoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-2-methoxypyridine-3-carboxylate;methyl 2-methoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate
PubChem CID162052936
Molecular FormulaC24H28N4O7
Molecular Weight484.51 g/mol
Exact Mass484.20
IUPAC Namemethyl 6-amino-2-methoxypyridine-3-carboxylate;methyl 2-methoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N)nc1OC.COC(=O)c1ccc(NCc2ccc(OC)cc2)nc1OC
InChIInChI=1S/C16H18N2O4.C8H10N2O3/c1-20-12-6-4-11(5-7-12)10-17-14-9-8-13(16(19)22-3)15(18-14)21-2;1-12-7-5(8(11)13-2)3-4-6(9)10-7/h4-9H,10H2,1-3H3,(H,17,18);3-4H,1-2H3,(H2,9,10)
InChIKeyYYUDSPGXCGBXNF-UHFFFAOYSA-N
XLogP2.96
TPSA144.12 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.51
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze methyl 6-amino-2-methoxypyridine-3-carboxylate;methyl 2-methoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-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

methyl 2-[[6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]amino]benzoate
CID 112872987
4-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770439
methyl 4-[(4-methoxyanilino)methyl]benzoate;hydrochloride
CID 141308228
4-methoxy-N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041761
2-N-[(4-methoxyphenyl)methyl]quinoline-2,6-diamine
CID 43450854
2-N-benzyl-6-methoxypyridine-2,5-diamine
CID 43261004
methyl 6-bromo-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate
CID 175275211
ethyl N-[6-[(4-methoxyphenyl)methylamino]-2-(methylamino)-3-pyridinyl]carbamate
CID 110179026
1-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]cyclopropane-1-carboxylic acid
CID 177349208
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113041743
5-bromo-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;2,6-difluoropyridine;2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;methane;(4-methoxyphenyl)methanamine;methyl 2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate
CID 159409608
methyl 6-cyano-2-methoxypyridine-3-carboxylate
CID 131010870

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-2-methoxypyridine-3-carboxylate;methyl 2-methoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate?
The IUPAC name of methyl 6-amino-2-methoxypyridine-3-carboxylate;methyl 2-methoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate (CID 162052936) is methyl 6-amino-2-methoxypyridine-3-carboxylate;methyl 2-methoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-amino-2-methoxypyridine-3-carboxylate;methyl 2-methoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-amino-2-methoxypyridine-3-carboxylate;methyl 2-methoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate is COC(=O)c1ccc(N)nc1OC.COC(=O)c1ccc(NCc2ccc(OC)cc2)nc1OC.
What is the InChIKey of methyl 6-amino-2-methoxypyridine-3-carboxylate;methyl 2-methoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate?
The InChIKey is YYUDSPGXCGBXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4.C8H10N2O3/c1-20-12-6-4-11(5-7-12)10-17-14-9-8-13(16(19)22-3)15(18-14)21-2;1-12-7-5(8(11)13-2)3-4-6(9)10-7/h4-9H,10H2,1-3H3,(H,17,18);3-4H,1-2H3,(H2,9,10).
What are the key properties of methyl 6-amino-2-methoxypyridine-3-carboxylate;methyl 2-methoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate?
methyl 6-amino-2-methoxypyridine-3-carboxylate;methyl 2-methoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate has a molecular weight of 484.51 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-2-methoxypyridine-3-carboxylate;methyl 2-methoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 162052936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).