2-amino-4-[(1S)-cyclohex-3-en-1-yl]-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile

C16H16N4 — CID 95552721

IUPAC2-amino-4-[(1S)-cyclohex-3-en-1-yl]-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1c([C@@H]2CC=CCC2)cc(-c2ccc[nH]2)nc1N
InChIInChI=1S/C16H16N4/c17-10-13-12(11-5-2-1-3-6-11)9-15(20-16(13)18)14-7-4-8-19-14/h1-2,4,7-9,11,19H,3,5-6H2,(H2,18,20)/t11-/m1/s1
InChIKeyNOYGUCLNVNNEEJ-LLVKDONJSA-N
MW264.33 g/mol
LogP3.35
Rot. Bonds2

About 2-amino-4-[(1S)-cyclohex-3-en-1-yl]-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile

2-amino-4-[(1S)-cyclohex-3-en-1-yl]-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile (PubChem CID 95552721) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-amino-4-[(1S)-cyclohex-3-en-1-yl]-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[(1S)-cyclohex-3-en-1-yl]-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
PubChem CID95552721
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name2-amino-4-[(1S)-cyclohex-3-en-1-yl]-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1c([C@@H]2CC=CCC2)cc(-c2ccc[nH]2)nc1N
InChIInChI=1S/C16H16N4/c17-10-13-12(11-5-2-1-3-6-11)9-15(20-16(13)18)14-7-4-8-19-14/h1-2,4,7-9,11,19H,3,5-6H2,(H2,18,20)/t11-/m1/s1
InChIKeyNOYGUCLNVNNEEJ-LLVKDONJSA-N
XLogP3.35
TPSA78.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-cyclohex-3-en-1-ylpyridine-3-carbonitrile
CID 56864056
2-amino-4-(2-piperidin-1-ylpyrimidin-5-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
CID 56863641
2-amino-4-(4-methoxy-2-methylphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
CID 56865030
2-amino-4-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
CID 56867360
2-amino-4-(2-prop-2-enoxyphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
CID 56864470
2-cyclohex-3-en-1-ylbenzonitrile
CID 66632923
2-amino-6-(4-nitrophenyl)-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
CID 5209410
2-amino-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride
CID 135550626
4-methyl-2-piperidin-4-yl-6-(1H-pyrrol-2-yl)pyrimidine
CID 116893449
2-amino-4-(3-aminocyclohexyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile;hydrochloride
CID 162321627
2-[3-[2-amino-3-cyano-6-(1H-pyrrol-2-yl)-4-pyridinyl]-2-methylindol-1-yl]acetamide
CID 56866317
2-amino-4-cyclohex-3-en-1-yl-6-phenacylsulfanylpyridine-3,5-dicarbonitrile
CID 4550693

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(1S)-cyclohex-3-en-1-yl]-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-[(1S)-cyclohex-3-en-1-yl]-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile (CID 95552721) is 2-amino-4-[(1S)-cyclohex-3-en-1-yl]-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-[(1S)-cyclohex-3-en-1-yl]-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-[(1S)-cyclohex-3-en-1-yl]-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile is N#Cc1c([C@@H]2CC=CCC2)cc(-c2ccc[nH]2)nc1N.
What is the InChIKey of 2-amino-4-[(1S)-cyclohex-3-en-1-yl]-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile?
The InChIKey is NOYGUCLNVNNEEJ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16N4/c17-10-13-12(11-5-2-1-3-6-11)9-15(20-16(13)18)14-7-4-8-19-14/h1-2,4,7-9,11,19H,3,5-6H2,(H2,18,20)/t11-/m1/s1.
What are the key properties of 2-amino-4-[(1S)-cyclohex-3-en-1-yl]-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile?
2-amino-4-[(1S)-cyclohex-3-en-1-yl]-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile has a molecular weight of 264.33 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(1S)-cyclohex-3-en-1-yl]-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 95552721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).