4-amino-2-ethoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carbonitrile

C16H18N4O2 — CID 70924868

IUPAC4-amino-2-ethoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carbonitrile
SMILESCCOc1nc(NCc2ccc(OC)cc2)cc(N)c1C#N
InChIInChI=1S/C16H18N4O2/c1-3-22-16-13(9-17)14(18)8-15(20-16)19-10-11-4-6-12(21-2)7-5-11/h4-8H,3,10H2,1-2H3,(H3,18,19,20)
InChIKeySURWQXHKNHQCMR-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.55
Rot. Bonds6

About 4-amino-2-ethoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carbonitrile

4-amino-2-ethoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carbonitrile (PubChem CID 70924868) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-amino-2-ethoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-ethoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carbonitrile
PubChem CID70924868
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name4-amino-2-ethoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carbonitrile
SMILESCCOc1nc(NCc2ccc(OC)cc2)cc(N)c1C#N
InChIInChI=1S/C16H18N4O2/c1-3-22-16-13(9-17)14(18)8-15(20-16)19-10-11-4-6-12(21-2)7-5-11/h4-8H,3,10H2,1-2H3,(H3,18,19,20)
InChIKeySURWQXHKNHQCMR-UHFFFAOYSA-N
XLogP2.55
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 11588450
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-chlorophenyl)acetamide
CID 11544489
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-phenylmethoxyphenyl)acetamide
CID 11524194
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-phenylacetamide
CID 11558435
2-N-[(4-methoxyphenyl)methyl]-5-methylpyridine-2,4-diamine
CID 83265796
4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-2-ethoxypyridine-3-carbonitrile
CID 143926886
4-amino-6-benzyl-2-ethoxypyridine-3-carbonitrile
CID 70924925
6-ethoxy-2-N-[(3-methoxyphenyl)methyl]pyridine-2,5-diamine
CID 61028652
4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]benzoic acid
CID 66920940
4-amino-6-[4-(2,6-dimethyl-4-pyridinyl)anilino]-2-ethoxypyridine-3-carbonitrile
CID 70924880
4-amino-6-(4-cyclohexylanilino)-2-ethoxypyridine-3-carbonitrile
CID 70924718
6-[(4-methoxyphenyl)methylamino]-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 174777830

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-ethoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 4-amino-2-ethoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carbonitrile (CID 70924868) is 4-amino-2-ethoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-2-ethoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 4-amino-2-ethoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carbonitrile is CCOc1nc(NCc2ccc(OC)cc2)cc(N)c1C#N.
What is the InChIKey of 4-amino-2-ethoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carbonitrile?
The InChIKey is SURWQXHKNHQCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-3-22-16-13(9-17)14(18)8-15(20-16)19-10-11-4-6-12(21-2)7-5-11/h4-8H,3,10H2,1-2H3,(H3,18,19,20).
What are the key properties of 4-amino-2-ethoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carbonitrile?
4-amino-2-ethoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carbonitrile has a molecular weight of 298.35 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 70924868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).