4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-2-ethoxypyridine-3-carbonitrile

C17H18N4O — CID 143926886

IUPAC4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-2-ethoxypyridine-3-carbonitrile
SMILESCCOc1nc(NC2Cc3ccccc3C2)cc(N)c1C#N
InChIInChI=1S/C17H18N4O/c1-2-22-17-14(10-18)15(19)9-16(21-17)20-13-7-11-5-3-4-6-12(11)8-13/h3-6,9,13H,2,7-8H2,1H3,(H3,19,20,21)
InChIKeyGYSAYXWBLMLMJT-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.51
Rot. Bonds4

About 4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-2-ethoxypyridine-3-carbonitrile

4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-2-ethoxypyridine-3-carbonitrile (PubChem CID 143926886) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-2-ethoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-2-ethoxypyridine-3-carbonitrile
PubChem CID143926886
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-2-ethoxypyridine-3-carbonitrile
SMILESCCOc1nc(NC2Cc3ccccc3C2)cc(N)c1C#N
InChIInChI=1S/C17H18N4O/c1-2-22-17-14(10-18)15(19)9-16(21-17)20-13-7-11-5-3-4-6-12(11)8-13/h3-6,9,13H,2,7-8H2,1H3,(H3,19,20,21)
InChIKeyGYSAYXWBLMLMJT-UHFFFAOYSA-N
XLogP2.51
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-phenylacetamide
CID 11558435
4-amino-6-(4-cyclohexylanilino)-2-ethoxypyridine-3-carbonitrile
CID 70924718
4-amino-6-benzyl-2-ethoxypyridine-3-carbonitrile
CID 70924925
4-amino-2-ethoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carbonitrile
CID 70924868
4-amino-6-[4-(2,6-dimethyl-4-pyridinyl)anilino]-2-ethoxypyridine-3-carbonitrile
CID 70924880
4-amino-5-cyano-6-ethoxy-N-phenylpyridine-2-carboxamide
CID 70924732
4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]benzoic acid
CID 70924877
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-thiophen-2-ylacetamide
CID 11652380
4-amino-6-[(4-benzylmorpholin-2-yl)methylamino]-2-ethoxypyridine-3-carbonitrile
CID 143926757
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-chlorophenyl)acetamide
CID 11544489
4-amino-2-ethoxy-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile
CID 89105550

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-2-ethoxypyridine-3-carbonitrile?
The IUPAC name of 4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-2-ethoxypyridine-3-carbonitrile (CID 143926886) is 4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-2-ethoxypyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-2-ethoxypyridine-3-carbonitrile?
The canonical SMILES for 4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-2-ethoxypyridine-3-carbonitrile is CCOc1nc(NC2Cc3ccccc3C2)cc(N)c1C#N.
What is the InChIKey of 4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-2-ethoxypyridine-3-carbonitrile?
The InChIKey is GYSAYXWBLMLMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-2-22-17-14(10-18)15(19)9-16(21-17)20-13-7-11-5-3-4-6-12(11)8-13/h3-6,9,13H,2,7-8H2,1H3,(H3,19,20,21).
What are the key properties of 4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-2-ethoxypyridine-3-carbonitrile?
4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-2-ethoxypyridine-3-carbonitrile has a molecular weight of 294.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-2-ethoxypyridine-3-carbonitrile is sourced from PubChem (CID 143926886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).