4-amino-2-ethoxy-6-[4-(1-methylimidazol-2-yl)anilino]pyridine-3-carbonitrile

C18H18N6O — CID 143926762

IUPAC4-amino-2-ethoxy-6-[4-(1-methylimidazol-2-yl)anilino]pyridine-3-carbonitrile
SMILESCCOc1nc(Nc2ccc(-c3nccn3C)cc2)cc(N)c1C#N
InChIInChI=1S/C18H18N6O/c1-3-25-18-14(11-19)15(20)10-16(23-18)22-13-6-4-12(5-7-13)17-21-8-9-24(17)2/h4-10H,3H2,1-2H3,(H3,20,22,23)
InChIKeyRJDGFVLPFLRLLL-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.08
Rot. Bonds5

About 4-amino-2-ethoxy-6-[4-(1-methylimidazol-2-yl)anilino]pyridine-3-carbonitrile

4-amino-2-ethoxy-6-[4-(1-methylimidazol-2-yl)anilino]pyridine-3-carbonitrile (PubChem CID 143926762) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-amino-2-ethoxy-6-[4-(1-methylimidazol-2-yl)anilino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-ethoxy-6-[4-(1-methylimidazol-2-yl)anilino]pyridine-3-carbonitrile
PubChem CID143926762
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name4-amino-2-ethoxy-6-[4-(1-methylimidazol-2-yl)anilino]pyridine-3-carbonitrile
SMILESCCOc1nc(Nc2ccc(-c3nccn3C)cc2)cc(N)c1C#N
InChIInChI=1S/C18H18N6O/c1-3-25-18-14(11-19)15(20)10-16(23-18)22-13-6-4-12(5-7-13)17-21-8-9-24(17)2/h4-10H,3H2,1-2H3,(H3,20,22,23)
InChIKeyRJDGFVLPFLRLLL-UHFFFAOYSA-N
XLogP3.08
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-6-[4-(2,6-dimethyl-4-pyridinyl)anilino]-2-ethoxypyridine-3-carbonitrile
CID 70924880
4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]benzoic acid
CID 70924877
4-amino-6-(4-cyclohexylanilino)-2-ethoxypyridine-3-carbonitrile
CID 70924718
4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-N,N-dimethylbenzamide
CID 143926752
4-amino-2-ethoxy-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile
CID 89105550
4-amino-2-ethoxy-6-[4-(morpholine-4-carbonyl)anilino]pyridine-3-carbonitrile
CID 70924988
4-amino-2-ethoxy-6-[3-hydroxy-4-(1,3-oxazol-5-yl)anilino]pyridine-3-carbonitrile
CID 143926956
ethyl 4-[(4-amino-5-cyano-6-phenoxy-2-pyridinyl)amino]benzoate
CID 70924888
4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-2-ethoxypyridine-3-carbonitrile
CID 143926886
4-amino-2-ethoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carbonitrile
CID 70924868
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-phenylacetamide
CID 11558435
4-amino-6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]anilino]-2-propan-2-yloxypyridine-3-carbonitrile
CID 70925025

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-ethoxy-6-[4-(1-methylimidazol-2-yl)anilino]pyridine-3-carbonitrile?
The IUPAC name of 4-amino-2-ethoxy-6-[4-(1-methylimidazol-2-yl)anilino]pyridine-3-carbonitrile (CID 143926762) is 4-amino-2-ethoxy-6-[4-(1-methylimidazol-2-yl)anilino]pyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-2-ethoxy-6-[4-(1-methylimidazol-2-yl)anilino]pyridine-3-carbonitrile?
The canonical SMILES for 4-amino-2-ethoxy-6-[4-(1-methylimidazol-2-yl)anilino]pyridine-3-carbonitrile is CCOc1nc(Nc2ccc(-c3nccn3C)cc2)cc(N)c1C#N.
What is the InChIKey of 4-amino-2-ethoxy-6-[4-(1-methylimidazol-2-yl)anilino]pyridine-3-carbonitrile?
The InChIKey is RJDGFVLPFLRLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-3-25-18-14(11-19)15(20)10-16(23-18)22-13-6-4-12(5-7-13)17-21-8-9-24(17)2/h4-10H,3H2,1-2H3,(H3,20,22,23).
What are the key properties of 4-amino-2-ethoxy-6-[4-(1-methylimidazol-2-yl)anilino]pyridine-3-carbonitrile?
4-amino-2-ethoxy-6-[4-(1-methylimidazol-2-yl)anilino]pyridine-3-carbonitrile has a molecular weight of 334.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethoxy-6-[4-(1-methylimidazol-2-yl)anilino]pyridine-3-carbonitrile is sourced from PubChem (CID 143926762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).