methyl 3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylate

C21H21N3O4 — CID 144940153

IUPACmethyl 3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylate
SMILES[H]/N=C(\C)c1c(C(=O)OC)cc(-c2ccco2)nc1NCc1ccc(OC)cc1
InChIInChI=1S/C21H21N3O4/c1-13(22)19-16(21(25)27-3)11-17(18-5-4-10-28-18)24-20(19)23-12-14-6-8-15(26-2)9-7-14/h4-11,22H,12H2,1-3H3,(H,23,24)/b22-13+
InChIKeyLMJODULOYONFFG-LPYMAVHISA-N
MW379.42 g/mol
LogP4.14
Rot. Bonds7

About methyl 3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylate

methyl 3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylate (PubChem CID 144940153) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is methyl 3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylate
PubChem CID144940153
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Namemethyl 3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylate
SMILES[H]/N=C(\C)c1c(C(=O)OC)cc(-c2ccco2)nc1NCc1ccc(OC)cc1
InChIInChI=1S/C21H21N3O4/c1-13(22)19-16(21(25)27-3)11-17(18-5-4-10-28-18)24-20(19)23-12-14-6-8-15(26-2)9-7-14/h4-11,22H,12H2,1-3H3,(H,23,24)/b22-13+
InChIKeyLMJODULOYONFFG-LPYMAVHISA-N
XLogP4.14
TPSA97.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid
CID 144940290
ethyl 4-chloro-5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-methylpyridine-3-carboxylate
CID 143804667
[3-(furan-2-yl)-5-[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone
CID 3881211
1-[3-(furan-2-yl)-5-[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]propan-1-one
CID 4988028
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2369156
6-(furan-2-yl)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine
CID 46906950
(4-chlorophenyl)-[3-(furan-2-yl)-5-[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]methanone
CID 3881209
N-[3-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-4-methylphenyl]-3,5-dimethoxybenzamide
CID 144792650
ethane;2-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2,4-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 143804673
2-(furan-2-yl)-5-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid
CID 118707891
methyl 1-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 9115095
2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 28527658

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylate?
The IUPAC name of methyl 3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylate (CID 144940153) is methyl 3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylate is [H]/N=C(\C)c1c(C(=O)OC)cc(-c2ccco2)nc1NCc1ccc(OC)cc1.
What is the InChIKey of methyl 3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylate?
The InChIKey is LMJODULOYONFFG-LPYMAVHISA-N. The full InChI is InChI=1S/C21H21N3O4/c1-13(22)19-16(21(25)27-3)11-17(18-5-4-10-28-18)24-20(19)23-12-14-6-8-15(26-2)9-7-14/h4-11,22H,12H2,1-3H3,(H,23,24)/b22-13+.
What are the key properties of methyl 3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylate?
methyl 3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylate has a molecular weight of 379.42 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylate is sourced from PubChem (CID 144940153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).