2-amino-4,6-dimethyl-5-[(5-methylfuran-2-yl)methylidene]cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile

C18H15N4O+ — CID 6936787

IUPAC2-amino-4,6-dimethyl-5-[(5-methylfuran-2-yl)methylidene]cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile
SMILESCC1=C(C#N)c2[nH+]c(N)c(C#N)c(C)c2C1=Cc1ccc(C)o1
InChIInChI=1S/C18H14N4O/c1-9-4-5-12(23-9)6-13-10(2)14(7-19)17-16(13)11(3)15(8-20)18(21)22-17/h4-6H,1-3H3,(H2,21,22)/p+1
InChIKeyGDYICKMEGQXHDE-UHFFFAOYSA-O
MW303.35 g/mol
LogP3.02
Rot. Bonds1

About 2-amino-4,6-dimethyl-5-[(5-methylfuran-2-yl)methylidene]cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile

2-amino-4,6-dimethyl-5-[(5-methylfuran-2-yl)methylidene]cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile (PubChem CID 6936787) has the molecular formula C18H15N4O+ and a molecular weight of 303.35 g/mol. Its IUPAC name is 2-amino-4,6-dimethyl-5-[(5-methylfuran-2-yl)methylidene]cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4,6-dimethyl-5-[(5-methylfuran-2-yl)methylidene]cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile
PubChem CID6936787
Molecular FormulaC18H15N4O+
Molecular Weight303.35 g/mol
Exact Mass303.12
IUPAC Name2-amino-4,6-dimethyl-5-[(5-methylfuran-2-yl)methylidene]cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile
SMILESCC1=C(C#N)c2[nH+]c(N)c(C#N)c(C)c2C1=Cc1ccc(C)o1
InChIInChI=1S/C18H14N4O/c1-9-4-5-12(23-9)6-13-10(2)14(7-19)17-16(13)11(3)15(8-20)18(21)22-17/h4-6H,1-3H3,(H2,21,22)/p+1
InChIKeyGDYICKMEGQXHDE-UHFFFAOYSA-O
XLogP3.02
TPSA100.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-4,6-dimethyl-5-[(5-methylfuran-2-yl)methylidene]cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4,6-dimethyl-5-[(5-phenylsulfanylfuran-2-yl)methylidene]cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile
CID 6961303
2-amino-5-[(4-methoxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile
CID 4122061
2-amino-5-[(2,4-dichlorophenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile
CID 7007456
methyl 4-[(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-1-ium-5-ylidene)methyl]benzoate
CID 6969713
2-amino-4,6-dimethyl-5-[(4-phenylmethoxyphenyl)methylidene]cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile
CID 6959063
2-amino-4,6-dimethyl-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile
CID 6996872
4-[[4-[(E)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-1-ium-5-ylidene)methyl]phenoxy]methyl]benzoate
CID 2018822
2-amino-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile
CID 6982309
2-[5-[(E)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]furan-2-yl]benzoic acid
CID 1006484
(5Z)-2-amino-4,6-dimethyl-5-[(2-methylphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile
CID 919864
(5Z)-2-amino-4,6-dimethyl-5-[(4-propan-2-yloxyphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile
CID 21229915
(5E)-2-amino-5-[(5-bromothiophen-2-yl)methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile
CID 1235591

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dimethyl-5-[(5-methylfuran-2-yl)methylidene]cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile?
The IUPAC name of 2-amino-4,6-dimethyl-5-[(5-methylfuran-2-yl)methylidene]cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile (CID 6936787) is 2-amino-4,6-dimethyl-5-[(5-methylfuran-2-yl)methylidene]cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile.
What is the SMILES notation for 2-amino-4,6-dimethyl-5-[(5-methylfuran-2-yl)methylidene]cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile?
The canonical SMILES for 2-amino-4,6-dimethyl-5-[(5-methylfuran-2-yl)methylidene]cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile is CC1=C(C#N)c2[nH+]c(N)c(C#N)c(C)c2C1=Cc1ccc(C)o1.
What is the InChIKey of 2-amino-4,6-dimethyl-5-[(5-methylfuran-2-yl)methylidene]cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile?
The InChIKey is GDYICKMEGQXHDE-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H14N4O/c1-9-4-5-12(23-9)6-13-10(2)14(7-19)17-16(13)11(3)15(8-20)18(21)22-17/h4-6H,1-3H3,(H2,21,22)/p+1.
What are the key properties of 2-amino-4,6-dimethyl-5-[(5-methylfuran-2-yl)methylidene]cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile?
2-amino-4,6-dimethyl-5-[(5-methylfuran-2-yl)methylidene]cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile has a molecular weight of 303.35 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dimethyl-5-[(5-methylfuran-2-yl)methylidene]cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile is sourced from PubChem (CID 6936787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).