ethyl 4-chloro-5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-methylpyridine-3-carboxylate

C19H22ClN3O3 — CID 143804667

IUPACethyl 4-chloro-5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-methylpyridine-3-carboxylate
SMILES[H]/N=C(\C)c1c(NCc2ccc(OC)cc2)nc(C)c(C(=O)OCC)c1Cl
InChIInChI=1S/C19H22ClN3O3/c1-5-26-19(24)16-12(3)23-18(15(11(2)21)17(16)20)22-10-13-6-8-14(25-4)9-7-13/h6-9,21H,5,10H2,1-4H3,(H,22,23)/b21-11+
InChIKeyLMNKCTCAYMQNML-SRZZPIQSSA-N
MW375.86 g/mol
LogP4.23
Rot. Bonds7

About ethyl 4-chloro-5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-methylpyridine-3-carboxylate

ethyl 4-chloro-5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-methylpyridine-3-carboxylate (PubChem CID 143804667) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is ethyl 4-chloro-5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-methylpyridine-3-carboxylate
PubChem CID143804667
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Nameethyl 4-chloro-5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-methylpyridine-3-carboxylate
SMILES[H]/N=C(\C)c1c(NCc2ccc(OC)cc2)nc(C)c(C(=O)OCC)c1Cl
InChIInChI=1S/C19H22ClN3O3/c1-5-26-19(24)16-12(3)23-18(15(11(2)21)17(16)20)22-10-13-6-8-14(25-4)9-7-13/h6-9,21H,5,10H2,1-4H3,(H,22,23)/b21-11+
InChIKeyLMNKCTCAYMQNML-SRZZPIQSSA-N
XLogP4.23
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-chloro-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxylate
CID 78358134
ethane;2-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2,4-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 143804673
ethyl 3-ethanimidoyl-2-[(4-phenoxyphenyl)methylamino]-6-(2-phenylethyl)pyridine-4-carboxylate
CID 146239225
ethyl 2-(2-acetyloxy-4-tert-butyl-6-methylphenyl)-4-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-5-carboxylate
CID 155338180
methyl 3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylate
CID 144940153
3-ethanimidoyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid
CID 144940290
ethane;ethyl 5-fluoro-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate
CID 143010924
ethyl 2-(1,1-dimethyl-2,3-dihydroinden-5-yl)-4-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-5-carboxylate
CID 164760997
ethyl 2-[(4-fluorophenyl)methylamino]-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylate
CID 178100051
ethyl 2-[(4-methoxyphenyl)methylamino]cyclohexene-1-carboxylate
CID 71499745
ethyl 4-[(2,4-dimethoxyphenyl)methylamino]-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate
CID 122442173
ethyl 4-chloro-6-[(4-methoxyphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 123563964

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 4-chloro-5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-methylpyridine-3-carboxylate (CID 143804667) is ethyl 4-chloro-5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-methylpyridine-3-carboxylate is [H]/N=C(\C)c1c(NCc2ccc(OC)cc2)nc(C)c(C(=O)OCC)c1Cl.
What is the InChIKey of ethyl 4-chloro-5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-methylpyridine-3-carboxylate?
The InChIKey is LMNKCTCAYMQNML-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-5-26-19(24)16-12(3)23-18(15(11(2)21)17(16)20)22-10-13-6-8-14(25-4)9-7-13/h6-9,21H,5,10H2,1-4H3,(H,22,23)/b21-11+.
What are the key properties of ethyl 4-chloro-5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-methylpyridine-3-carboxylate?
ethyl 4-chloro-5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-methylpyridine-3-carboxylate has a molecular weight of 375.86 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 143804667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).