(5Z)-2-amino-4,6-dimethyl-5-[(3-methylthiophen-2-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile

C18H14N4S — CID 126000376

IUPAC(5Z)-2-amino-4,6-dimethyl-5-[(3-methylthiophen-2-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile
SMILESCC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1sccc1C
InChIInChI=1S/C18H14N4S/c1-9-4-5-23-15(9)6-12-10(2)13(7-19)17-16(12)11(3)14(8-20)18(21)22-17/h4-6H,1-3H3,(H2,21,22)/b12-6-
InChIKeyFNIJOWGGVLWBHI-SDQBBNPISA-N
MW318.41 g/mol
LogP4.07
Rot. Bonds1

About (5Z)-2-amino-4,6-dimethyl-5-[(3-methylthiophen-2-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile

(5Z)-2-amino-4,6-dimethyl-5-[(3-methylthiophen-2-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile (PubChem CID 126000376) has the molecular formula C18H14N4S and a molecular weight of 318.41 g/mol. Its IUPAC name is (5Z)-2-amino-4,6-dimethyl-5-[(3-methylthiophen-2-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile.

Molecular Properties

Compound Name(5Z)-2-amino-4,6-dimethyl-5-[(3-methylthiophen-2-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile
PubChem CID126000376
Molecular FormulaC18H14N4S
Molecular Weight318.41 g/mol
Exact Mass318.09
IUPAC Name(5Z)-2-amino-4,6-dimethyl-5-[(3-methylthiophen-2-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile
SMILESCC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1sccc1C
InChIInChI=1S/C18H14N4S/c1-9-4-5-23-15(9)6-12-10(2)13(7-19)17-16(12)11(3)14(8-20)18(21)22-17/h4-6H,1-3H3,(H2,21,22)/b12-6-
InChIKeyFNIJOWGGVLWBHI-SDQBBNPISA-N
XLogP4.07
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_B(7)', 'substructure': 'N/A'}

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Related Compounds

(5Z)-2-amino-4,6-dimethyl-5-[(2-methylphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile
CID 919864
(5E)-2-amino-5-[(5-bromothiophen-2-yl)methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile
CID 1235591
2-amino-5-[[4-(diethylamino)phenyl]methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile
CID 4659852
(5Z)-2-amino-4,6-dimethyl-5-[(4-propan-2-yloxyphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile
CID 21229915
2-amino-5-[(2,5-dimethoxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile
CID 1082923
(5E)-2-amino-4,6-dimethyl-5-(quinolin-4-ylmethylidene)cyclopenta[b]pyridine-3,7-dicarbonitrile
CID 45278369
(5Z)-2-amino-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile
CID 135501351
2-amino-4,6-dimethyl-5-[(4-morpholin-4-ylphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile
CID 1082591
2-amino-5-[(5-chloro-2-ethoxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile
CID 3899909
(5E)-2-amino-5-[(3-chloro-4-propan-2-yloxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile
CID 5439598
(2R)-2-[4-[(Z)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]phenoxy]propanoic acid
CID 98075331
2-amino-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile
CID 1080329

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-amino-4,6-dimethyl-5-[(3-methylthiophen-2-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile?
The IUPAC name of (5Z)-2-amino-4,6-dimethyl-5-[(3-methylthiophen-2-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile (CID 126000376) is (5Z)-2-amino-4,6-dimethyl-5-[(3-methylthiophen-2-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile.
What is the SMILES notation for (5Z)-2-amino-4,6-dimethyl-5-[(3-methylthiophen-2-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile?
The canonical SMILES for (5Z)-2-amino-4,6-dimethyl-5-[(3-methylthiophen-2-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile is CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1sccc1C.
What is the InChIKey of (5Z)-2-amino-4,6-dimethyl-5-[(3-methylthiophen-2-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile?
The InChIKey is FNIJOWGGVLWBHI-SDQBBNPISA-N. The full InChI is InChI=1S/C18H14N4S/c1-9-4-5-23-15(9)6-12-10(2)13(7-19)17-16(12)11(3)14(8-20)18(21)22-17/h4-6H,1-3H3,(H2,21,22)/b12-6-.
What are the key properties of (5Z)-2-amino-4,6-dimethyl-5-[(3-methylthiophen-2-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile?
(5Z)-2-amino-4,6-dimethyl-5-[(3-methylthiophen-2-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile has a molecular weight of 318.41 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-amino-4,6-dimethyl-5-[(3-methylthiophen-2-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile is sourced from PubChem (CID 126000376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).