3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid

C20H19N3O4 — CID 144940290

IUPAC3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid
SMILES[H]/N=C(\C)c1c(C(=O)O)cc(-c2ccco2)nc1NCc1ccc(OC)cc1
InChIInChI=1S/C20H19N3O4/c1-12(21)18-15(20(24)25)10-16(17-4-3-9-27-17)23-19(18)22-11-13-5-7-14(26-2)8-6-13/h3-10,21H,11H2,1-2H3,(H,22,23)(H,24,25)/b21-12+
InChIKeyYPEYXAVCISDGPD-CIAFOILYSA-N
MW365.39 g/mol
LogP4.05
Rot. Bonds7

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

3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid (PubChem CID 144940290) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid
PubChem CID144940290
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid
SMILES[H]/N=C(\C)c1c(C(=O)O)cc(-c2ccco2)nc1NCc1ccc(OC)cc1
InChIInChI=1S/C20H19N3O4/c1-12(21)18-15(20(24)25)10-16(17-4-3-9-27-17)23-19(18)22-11-13-5-7-14(26-2)8-6-13/h3-10,21H,11H2,1-2H3,(H,22,23)(H,24,25)/b21-12+
InChIKeyYPEYXAVCISDGPD-CIAFOILYSA-N
XLogP4.05
TPSA108.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylate
CID 144940153
2-(furan-2-yl)-5-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid
CID 118707891
[3-(furan-2-yl)-5-[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone
CID 3881211
ethyl 4-chloro-5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-methylpyridine-3-carboxylate
CID 143804667
6-(furan-2-yl)-2-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 118424984
ethane;2-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2,4-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 143804673
1-[3-(furan-2-yl)-5-[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]propan-1-one
CID 4988028
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
2-ethoxy-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylic acid
CID 178100025
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2369156

Frequently Asked Questions

What is the IUPAC name of 3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid (CID 144940290) is 3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid is [H]/N=C(\C)c1c(C(=O)O)cc(-c2ccco2)nc1NCc1ccc(OC)cc1.
What is the InChIKey of 3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is YPEYXAVCISDGPD-CIAFOILYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-12(21)18-15(20(24)25)10-16(17-4-3-9-27-17)23-19(18)22-11-13-5-7-14(26-2)8-6-13/h3-10,21H,11H2,1-2H3,(H,22,23)(H,24,25)/b21-12+.
What are the key properties of 3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid?
3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid has a molecular weight of 365.39 g/mol, XLogP of 4.05, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 144940290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).