ethyl 4-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate

C17H21N3O4 — CID 154640277

IUPACethyl 4-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(NCc2ccc(OC)cc2OC)cc1N
InChIInChI=1S/C17H21N3O4/c1-4-24-17(21)13-10-20-16(8-14(13)18)19-9-11-5-6-12(22-2)7-15(11)23-3/h5-8,10H,4,9H2,1-3H3,(H3,18,19,20)
InChIKeyRROLYGXFTRVJAI-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.47
Rot. Bonds7

About ethyl 4-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate

ethyl 4-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate (PubChem CID 154640277) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is ethyl 4-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate
PubChem CID154640277
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Nameethyl 4-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(NCc2ccc(OC)cc2OC)cc1N
InChIInChI=1S/C17H21N3O4/c1-4-24-17(21)13-10-20-16(8-14(13)18)19-9-11-5-6-12(22-2)7-15(11)23-3/h5-8,10H,4,9H2,1-3H3,(H3,18,19,20)
InChIKeyRROLYGXFTRVJAI-UHFFFAOYSA-N
XLogP2.47
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate
CID 39782603
N-[(2,4-dimethoxyphenyl)methyl]-4,5-diiodopyridin-2-amine
CID 167328439
ethyl 3-[(2,4-dimethoxyphenyl)methylamino]-1H-pyrrole-2-carboxylate
CID 67068490
N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3,4,5-trimethoxybenzamide
CID 110179316
N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3-hydroxybutanamide
CID 110179389
N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 60966861
5-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 139327511
ethyl 4-[(2,4-dimethoxyphenyl)methylamino]-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate
CID 122442173
N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;pyrimidin-4-amine
CID 159861380
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
4-amino-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 81235643
2-chloro-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 118425010

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 4-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate (CID 154640277) is ethyl 4-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate is CCOC(=O)c1cnc(NCc2ccc(OC)cc2OC)cc1N.
What is the InChIKey of ethyl 4-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate?
The InChIKey is RROLYGXFTRVJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-4-24-17(21)13-10-20-16(8-14(13)18)19-9-11-5-6-12(22-2)7-15(11)23-3/h5-8,10H,4,9H2,1-3H3,(H3,18,19,20).
What are the key properties of ethyl 4-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate?
ethyl 4-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate has a molecular weight of 331.37 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 154640277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).