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

C23H21N5O — CID 1082591

IUPAC2-amino-4,6-dimethyl-5-[(4-morpholin-4-ylphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile
SMILESCC1=C(C#N)c2nc(N)c(C#N)c(C)c2C1=Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H21N5O/c1-14-18(11-16-3-5-17(6-4-16)28-7-9-29-10-8-28)21-15(2)20(13-25)23(26)27-22(21)19(14)12-24/h3-6,11H,7-10H2,1-2H3,(H2,26,27)
InChIKeyCCWMSGVIDBPNNF-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.53
Rot. Bonds2

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

2-amino-4,6-dimethyl-5-[(4-morpholin-4-ylphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile (PubChem CID 1082591) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 2-amino-4,6-dimethyl-5-[(4-morpholin-4-ylphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4,6-dimethyl-5-[(4-morpholin-4-ylphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile
PubChem CID1082591
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name2-amino-4,6-dimethyl-5-[(4-morpholin-4-ylphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile
SMILESCC1=C(C#N)c2nc(N)c(C#N)c(C)c2C1=Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H21N5O/c1-14-18(11-16-3-5-17(6-4-16)28-7-9-29-10-8-28)21-15(2)20(13-25)23(26)27-22(21)19(14)12-24/h3-6,11H,7-10H2,1-2H3,(H2,26,27)
InChIKeyCCWMSGVIDBPNNF-UHFFFAOYSA-N
XLogP3.53
TPSA98.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'ene_cyano_B(7)', 'substructure': 'N/A'}

Analyze 2-amino-4,6-dimethyl-5-[(4-morpholin-4-ylphenyl)methylidene]cyclopenta[b]pyridine-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-5-[[4-(diethylamino)phenyl]methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile
CID 4659852
(5Z)-2-amino-4,6-dimethyl-5-[(2-methylphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile
CID 919864
(2R)-2-[4-[(Z)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]phenoxy]propanoic acid
CID 98075331
(5E)-2-amino-5-[(3-chloro-4-propan-2-yloxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile
CID 5439598
(5E)-2-amino-4,6-dimethyl-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile
CID 50858221
(5Z)-2-amino-4,6-dimethyl-5-[(3-methylthiophen-2-yl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile
CID 126000376
(5Z)-2-amino-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile
CID 135501351
(5Z)-2-amino-5-[[(4R)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile
CID 124649020
2-amino-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile
CID 3156677
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
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 2-amino-4,6-dimethyl-5-[(4-morpholin-4-ylphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile?
The IUPAC name of 2-amino-4,6-dimethyl-5-[(4-morpholin-4-ylphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile (CID 1082591) is 2-amino-4,6-dimethyl-5-[(4-morpholin-4-ylphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile.
What is the SMILES notation for 2-amino-4,6-dimethyl-5-[(4-morpholin-4-ylphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile?
The canonical SMILES for 2-amino-4,6-dimethyl-5-[(4-morpholin-4-ylphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile is CC1=C(C#N)c2nc(N)c(C#N)c(C)c2C1=Cc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-amino-4,6-dimethyl-5-[(4-morpholin-4-ylphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile?
The InChIKey is CCWMSGVIDBPNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-14-18(11-16-3-5-17(6-4-16)28-7-9-29-10-8-28)21-15(2)20(13-25)23(26)27-22(21)19(14)12-24/h3-6,11H,7-10H2,1-2H3,(H2,26,27).
What are the key properties of 2-amino-4,6-dimethyl-5-[(4-morpholin-4-ylphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile?
2-amino-4,6-dimethyl-5-[(4-morpholin-4-ylphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile has a molecular weight of 383.46 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dimethyl-5-[(4-morpholin-4-ylphenyl)methylidene]cyclopenta[b]pyridine-3,7-dicarbonitrile is sourced from PubChem (CID 1082591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).