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

C20H16N4 — CID 919864

IUPAC(5Z)-2-amino-4,6-dimethyl-5-[(2-methylphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile
SMILESCC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccccc1C
InChIInChI=1S/C20H16N4/c1-11-6-4-5-7-14(11)8-15-12(2)16(9-21)19-18(15)13(3)17(10-22)20(23)24-19/h4-8H,1-3H3,(H2,23,24)/b15-8-
InChIKeyCHQNFJDIXJEBMB-NVNXTCNLSA-N
MW312.38 g/mol
LogP4.00
Rot. Bonds1

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

(5Z)-2-amino-4,6-dimethyl-5-[(2-methylphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile (PubChem CID 919864) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is (5Z)-2-amino-4,6-dimethyl-5-[(2-methylphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile.

Molecular Properties

Compound Name(5Z)-2-amino-4,6-dimethyl-5-[(2-methylphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile
PubChem CID919864
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC Name(5Z)-2-amino-4,6-dimethyl-5-[(2-methylphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile
SMILESCC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccccc1C
InChIInChI=1S/C20H16N4/c1-11-6-4-5-7-14(11)8-15-12(2)16(9-21)19-18(15)13(3)17(10-22)20(23)24-19/h4-8H,1-3H3,(H2,23,24)/b15-8-
InChIKeyCHQNFJDIXJEBMB-NVNXTCNLSA-N
XLogP4.00
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-amino-4,6-dimethyl-5-[(2-methylphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile?
The IUPAC name of (5Z)-2-amino-4,6-dimethyl-5-[(2-methylphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile (CID 919864) is (5Z)-2-amino-4,6-dimethyl-5-[(2-methylphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile.
What is the SMILES notation for (5Z)-2-amino-4,6-dimethyl-5-[(2-methylphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile?
The canonical SMILES for (5Z)-2-amino-4,6-dimethyl-5-[(2-methylphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile is CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccccc1C.
What is the InChIKey of (5Z)-2-amino-4,6-dimethyl-5-[(2-methylphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile?
The InChIKey is CHQNFJDIXJEBMB-NVNXTCNLSA-N. The full InChI is InChI=1S/C20H16N4/c1-11-6-4-5-7-14(11)8-15-12(2)16(9-21)19-18(15)13(3)17(10-22)20(23)24-19/h4-8H,1-3H3,(H2,23,24)/b15-8-.
What are the key properties of (5Z)-2-amino-4,6-dimethyl-5-[(2-methylphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile?
(5Z)-2-amino-4,6-dimethyl-5-[(2-methylphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile has a molecular weight of 312.38 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-amino-4,6-dimethyl-5-[(2-methylphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile is sourced from PubChem (CID 919864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).