(3Z)-2-amino-3-(1-ethyl-2-pyridinylidene)prop-1-ene-1,1,3-tricarbonitrile

C13H11N5 — CID 98467877

IUPAC(3Z)-2-amino-3-(1-ethyl-2-pyridinylidene)prop-1-ene-1,1,3-tricarbonitrile
SMILESCCN1C=CC=C/C1=C(/C#N)C(N)=C(C#N)C#N
InChIInChI=1S/C13H11N5/c1-2-18-6-4-3-5-12(18)11(9-16)13(17)10(7-14)8-15/h3-6H,2,17H2,1H3/b12-11+
InChIKeyIXCZCPPEHSVPSY-VAWYXSNFSA-N
MW237.27 g/mol
LogP1.43
Rot. Bonds2

About (3Z)-2-amino-3-(1-ethyl-2-pyridinylidene)prop-1-ene-1,1,3-tricarbonitrile

(3Z)-2-amino-3-(1-ethyl-2-pyridinylidene)prop-1-ene-1,1,3-tricarbonitrile (PubChem CID 98467877) has the molecular formula C13H11N5 and a molecular weight of 237.27 g/mol. Its IUPAC name is (3Z)-2-amino-3-(1-ethyl-2-pyridinylidene)prop-1-ene-1,1,3-tricarbonitrile.

Molecular Properties

Compound Name(3Z)-2-amino-3-(1-ethyl-2-pyridinylidene)prop-1-ene-1,1,3-tricarbonitrile
PubChem CID98467877
Molecular FormulaC13H11N5
Molecular Weight237.27 g/mol
Exact Mass237.10
IUPAC Name(3Z)-2-amino-3-(1-ethyl-2-pyridinylidene)prop-1-ene-1,1,3-tricarbonitrile
SMILESCCN1C=CC=C/C1=C(/C#N)C(N)=C(C#N)C#N
InChIInChI=1S/C13H11N5/c1-2-18-6-4-3-5-12(18)11(9-16)13(17)10(7-14)8-15/h3-6H,2,17H2,1H3/b12-11+
InChIKeyIXCZCPPEHSVPSY-VAWYXSNFSA-N
XLogP1.43
TPSA100.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-4-(dimethylamino)-1,3-butadiene-1,1,3-tricarbonitrile
CID 2764830
2-(2,6-Dimethyl-1-propan-2-yl-4-pyridinylidene)propanedinitrile
CID 2307848
2-(1-Ethyl-2,6-dimethyl-4-pyridinylidene)propanedinitrile
CID 88913628
2-(1-Ethyl-2-pyridinylidene)propanedinitrile
CID 13445527
(3Z)-2-amino-3-(1-methylpyridin-2(1H)-ylidene)prop-1-ene-1,1,3-tricarbonitrile
CID 44615849
2-Dicyanomethylene-1,2-dihydropyridin-3-carbonitrile
CID 129629697
3-[1-Allylpyridin-2(1h)-ylidene]-2-aminoprop-1-ene-1,1,3-tricarbonitrile
CID 132275743
(E)-4-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]-2-(diethylamino)pent-2-enedinitrile
CID 139063365
(Z)-2-amino-3-[(E)-2-[5-(trifluoromethyl)-2H-pyridin-1-yl]ethenyl]but-2-enedinitrile
CID 91871837
2-(1,2,6-Trimethyl-4-pyridinylidene)propanedinitrile
CID 16737639
6H-quinolizine-1-carbonitrile
CID 17993275
2-[4-[2-(1-Butyl-4-pyridinylidene)-1-isocyanoethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile
CID 20782847

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-amino-3-(1-ethyl-2-pyridinylidene)prop-1-ene-1,1,3-tricarbonitrile?
The IUPAC name of (3Z)-2-amino-3-(1-ethyl-2-pyridinylidene)prop-1-ene-1,1,3-tricarbonitrile (CID 98467877) is (3Z)-2-amino-3-(1-ethyl-2-pyridinylidene)prop-1-ene-1,1,3-tricarbonitrile.
What is the SMILES notation for (3Z)-2-amino-3-(1-ethyl-2-pyridinylidene)prop-1-ene-1,1,3-tricarbonitrile?
The canonical SMILES for (3Z)-2-amino-3-(1-ethyl-2-pyridinylidene)prop-1-ene-1,1,3-tricarbonitrile is CCN1C=CC=C/C1=C(/C#N)C(N)=C(C#N)C#N.
What is the InChIKey of (3Z)-2-amino-3-(1-ethyl-2-pyridinylidene)prop-1-ene-1,1,3-tricarbonitrile?
The InChIKey is IXCZCPPEHSVPSY-VAWYXSNFSA-N. The full InChI is InChI=1S/C13H11N5/c1-2-18-6-4-3-5-12(18)11(9-16)13(17)10(7-14)8-15/h3-6H,2,17H2,1H3/b12-11+.
What are the key properties of (3Z)-2-amino-3-(1-ethyl-2-pyridinylidene)prop-1-ene-1,1,3-tricarbonitrile?
(3Z)-2-amino-3-(1-ethyl-2-pyridinylidene)prop-1-ene-1,1,3-tricarbonitrile has a molecular weight of 237.27 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-amino-3-(1-ethyl-2-pyridinylidene)prop-1-ene-1,1,3-tricarbonitrile is sourced from PubChem (CID 98467877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).