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

C23H16N4O — CID 46881059

IUPAC(5E)-2-amino-4,6-dimethyl-5-[(5-phenylfuran-2-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile
SMILESCC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(-c2ccccc2)o1
InChIInChI=1S/C23H16N4O/c1-13-17(10-16-8-9-20(28-16)15-6-4-3-5-7-15)21-14(2)19(12-25)23(26)27-22(21)18(13)11-24/h3-10H,1-2H3,(H2,26,27)/b17-10+
InChIKeyHMJLTVVSBQWDFM-LICLKQGHSA-N
MW364.41 g/mol
LogP4.96
Rot. Bonds2

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

(5E)-2-amino-4,6-dimethyl-5-[(5-phenylfuran-2-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile (PubChem CID 46881059) has the molecular formula C23H16N4O and a molecular weight of 364.41 g/mol. Its IUPAC name is (5E)-2-amino-4,6-dimethyl-5-[(5-phenylfuran-2-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile.

Molecular Properties

Compound Name(5E)-2-amino-4,6-dimethyl-5-[(5-phenylfuran-2-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile
PubChem CID46881059
Molecular FormulaC23H16N4O
Molecular Weight364.41 g/mol
Exact Mass364.13
IUPAC Name(5E)-2-amino-4,6-dimethyl-5-[(5-phenylfuran-2-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile
SMILESCC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(-c2ccccc2)o1
InChIInChI=1S/C23H16N4O/c1-13-17(10-16-8-9-20(28-16)15-6-4-3-5-7-15)21-14(2)19(12-25)23(26)27-22(21)18(13)11-24/h3-10H,1-2H3,(H2,26,27)/b17-10+
InChIKeyHMJLTVVSBQWDFM-LICLKQGHSA-N
XLogP4.96
TPSA99.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5E)-2-amino-4,6-dimethyl-5-[(5-phenylfuran-2-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile with MolForge

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Related Compounds

2-Amino-4-(2-furyl)-6-phenylnicotinonitrile
CID 743242
4-(2,3-Dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine
CID 155920140
2-Amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 679296
2-amino-4-(5-methyl-2-furyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 2047114
2-Amino-6-furan-2-yl-4-phenyl-nicotinonitrile
CID 24950370
4-(2-Methyl-1-benzofuran-5-yl)pyridine-2,6-diamine
CID 155920139
MAP Kinase Inhibitor, 2
CID 3399382
N-[3-cyano-4-(furan-2-yl)-6-phenylpyridin-2-yl]acetamide
CID 671422
2-Amino-4-(5-methyl-2-furyl)-6-phenylnicotinonitrile
CID 3355257
2-Amino-6-cyclopropyl-4-(furan-2-yl)pyridine-3-carbonitrile
CID 659053
2-Amino-6-(5-methylfuran-2-yl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 661059
2-Amino-4-(4-fluorophenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile
CID 705445

Frequently Asked Questions

What is the IUPAC name of (5E)-2-amino-4,6-dimethyl-5-[(5-phenylfuran-2-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile?
The IUPAC name of (5E)-2-amino-4,6-dimethyl-5-[(5-phenylfuran-2-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile (CID 46881059) is (5E)-2-amino-4,6-dimethyl-5-[(5-phenylfuran-2-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile.
What is the SMILES notation for (5E)-2-amino-4,6-dimethyl-5-[(5-phenylfuran-2-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile?
The canonical SMILES for (5E)-2-amino-4,6-dimethyl-5-[(5-phenylfuran-2-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile is CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(-c2ccccc2)o1.
What is the InChIKey of (5E)-2-amino-4,6-dimethyl-5-[(5-phenylfuran-2-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile?
The InChIKey is HMJLTVVSBQWDFM-LICLKQGHSA-N. The full InChI is InChI=1S/C23H16N4O/c1-13-17(10-16-8-9-20(28-16)15-6-4-3-5-7-15)21-14(2)19(12-25)23(26)27-22(21)18(13)11-24/h3-10H,1-2H3,(H2,26,27)/b17-10+.
What are the key properties of (5E)-2-amino-4,6-dimethyl-5-[(5-phenylfuran-2-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile?
(5E)-2-amino-4,6-dimethyl-5-[(5-phenylfuran-2-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile has a molecular weight of 364.41 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-amino-4,6-dimethyl-5-[(5-phenylfuran-2-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile is sourced from PubChem (CID 46881059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).