2,6-diamino-4-(4-chlorophenyl)-1-propyl-4H-pyridine-3,5-dicarbonitrile

C16H16ClN5 — CID 122217475

IUPAC2,6-diamino-4-(4-chlorophenyl)-1-propyl-4H-pyridine-3,5-dicarbonitrile
SMILESCCCN1C(N)=C(C#N)C(c2ccc(Cl)cc2)C(C#N)=C1N
InChIInChI=1S/C16H16ClN5/c1-2-7-22-15(20)12(8-18)14(13(9-19)16(22)21)10-3-5-11(17)6-4-10/h3-6,14H,2,7,20-21H2,1H3
InChIKeyRWWQVIWGPFDCNK-UHFFFAOYSA-N
MW313.79 g/mol
LogP2.54
Rot. Bonds3

About 2,6-diamino-4-(4-chlorophenyl)-1-propyl-4H-pyridine-3,5-dicarbonitrile

2,6-diamino-4-(4-chlorophenyl)-1-propyl-4H-pyridine-3,5-dicarbonitrile (PubChem CID 122217475) has the molecular formula C16H16ClN5 and a molecular weight of 313.79 g/mol. Its IUPAC name is 2,6-diamino-4-(4-chlorophenyl)-1-propyl-4H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-diamino-4-(4-chlorophenyl)-1-propyl-4H-pyridine-3,5-dicarbonitrile
PubChem CID122217475
Molecular FormulaC16H16ClN5
Molecular Weight313.79 g/mol
Exact Mass313.11
IUPAC Name2,6-diamino-4-(4-chlorophenyl)-1-propyl-4H-pyridine-3,5-dicarbonitrile
SMILESCCCN1C(N)=C(C#N)C(c2ccc(Cl)cc2)C(C#N)=C1N
InChIInChI=1S/C16H16ClN5/c1-2-7-22-15(20)12(8-18)14(13(9-19)16(22)21)10-3-5-11(17)6-4-10/h3-6,14H,2,7,20-21H2,1H3
InChIKeyRWWQVIWGPFDCNK-UHFFFAOYSA-N
XLogP2.54
TPSA102.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,6-diamino-4-(4-chlorophenyl)-1-propyl-4H-pyridine-3,5-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

2,6-diamino-4-(2-chlorophenyl)-1-propyl-4H-pyridine-3,5-dicarbonitrile
CID 122217476
(2E)-5-amino-7-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-6-cyano-3-oxo-N-propyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
CID 17273265
(3S)-1-amino-3-(4-chlorophenyl)-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
CID 911388
2-(4-chlorophenyl)-1,3-dipropyl-2H-imidazole
CID 57196534
(4R,5R)-4,5-bis(4-chlorophenyl)-1,3-dipropylimidazolidin-2-one
CID 11784131
ethyl (4R)-6-amino-4-(4-chlorophenyl)-5-cyano-2-propyl-4H-pyran-3-carboxylate
CID 696097
methyl (4R)-6-amino-4-(4-chlorophenyl)-5-cyano-2-ethyl-4H-pyran-3-carboxylate
CID 7310360
(2E)-5-amino-7-(4-chlorophenyl)-6-cyano-2-[(4-methylphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
CID 11561444
5-amino-8-(4-chlorobenzoyl)-7-(4-chlorophenyl)-2-methyl-7H-[1,3,4]thiadiazolo[3,2-a]pyridine-6-carbonitrile
CID 101447190
2-amino-6-ethyl-4-phenyl-4H-pyran-3,5-dicarbonitrile
CID 600102
(8R,8aR)-6-amino-8-(4-chlorophenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
CID 51403429
(8S,8aS)-6-amino-8-(4-chlorophenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
CID 51527879

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-4-(4-chlorophenyl)-1-propyl-4H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-diamino-4-(4-chlorophenyl)-1-propyl-4H-pyridine-3,5-dicarbonitrile (CID 122217475) is 2,6-diamino-4-(4-chlorophenyl)-1-propyl-4H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-diamino-4-(4-chlorophenyl)-1-propyl-4H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-diamino-4-(4-chlorophenyl)-1-propyl-4H-pyridine-3,5-dicarbonitrile is CCCN1C(N)=C(C#N)C(c2ccc(Cl)cc2)C(C#N)=C1N.
What is the InChIKey of 2,6-diamino-4-(4-chlorophenyl)-1-propyl-4H-pyridine-3,5-dicarbonitrile?
The InChIKey is RWWQVIWGPFDCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5/c1-2-7-22-15(20)12(8-18)14(13(9-19)16(22)21)10-3-5-11(17)6-4-10/h3-6,14H,2,7,20-21H2,1H3.
What are the key properties of 2,6-diamino-4-(4-chlorophenyl)-1-propyl-4H-pyridine-3,5-dicarbonitrile?
2,6-diamino-4-(4-chlorophenyl)-1-propyl-4H-pyridine-3,5-dicarbonitrile has a molecular weight of 313.79 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-4-(4-chlorophenyl)-1-propyl-4H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 122217475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).