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

C16H16ClN5 — CID 122217476

IUPAC2,6-diamino-4-(2-chlorophenyl)-1-propyl-4H-pyridine-3,5-dicarbonitrile
SMILESCCCN1C(N)=C(C#N)C(c2ccccc2Cl)C(C#N)=C1N
InChIInChI=1S/C16H16ClN5/c1-2-7-22-15(20)11(8-18)14(12(9-19)16(22)21)10-5-3-4-6-13(10)17/h3-6,14H,2,7,20-21H2,1H3
InChIKeyQLWLAPLNHFIWFP-UHFFFAOYSA-N
MW313.79 g/mol
LogP2.54
Rot. Bonds3

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

2,6-diamino-4-(2-chlorophenyl)-1-propyl-4H-pyridine-3,5-dicarbonitrile (PubChem CID 122217476) has the molecular formula C16H16ClN5 and a molecular weight of 313.79 g/mol. Its IUPAC name is 2,6-diamino-4-(2-chlorophenyl)-1-propyl-4H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-diamino-4-(2-chlorophenyl)-1-propyl-4H-pyridine-3,5-dicarbonitrile
PubChem CID122217476
Molecular FormulaC16H16ClN5
Molecular Weight313.79 g/mol
Exact Mass313.11
IUPAC Name2,6-diamino-4-(2-chlorophenyl)-1-propyl-4H-pyridine-3,5-dicarbonitrile
SMILESCCCN1C(N)=C(C#N)C(c2ccccc2Cl)C(C#N)=C1N
InChIInChI=1S/C16H16ClN5/c1-2-7-22-15(20)11(8-18)14(12(9-19)16(22)21)10-5-3-4-6-13(10)17/h3-6,14H,2,7,20-21H2,1H3
InChIKeyQLWLAPLNHFIWFP-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

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Related Compounds

2,6-diamino-4-(4-chlorophenyl)-1-propyl-4H-pyridine-3,5-dicarbonitrile
CID 122217475
[4-(2-chlorophenyl)-5-cyano-1,2,6-trimethyl-4H-pyridin-3-yl] ethyl carbonate
CID 70517950
4-(2-chlorophenyl)-3-(furan-2-yl)-6-propyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 135583825
(2E,7S)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
CID 1386079
ethyl (2Z)-5-amino-7-(2-chlorophenyl)-6-cyano-2-(2-methoxy-2-oxoethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate;methane
CID 53277702
methyl (2E)-5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
CID 5287003
(5S)-7-amino-5-(2-chlorophenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 827631
ethyl 5-amino-7-(2-chlorophenyl)-2-[(2-chlorophenyl)methylidene]-8-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate
CID 3751278
prop-2-ynyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 166175181
2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475710
2-amino-4-(2-chlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile
CID 3489090
(1R)-3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 675919

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-4-(2-chlorophenyl)-1-propyl-4H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-diamino-4-(2-chlorophenyl)-1-propyl-4H-pyridine-3,5-dicarbonitrile (CID 122217476) is 2,6-diamino-4-(2-chlorophenyl)-1-propyl-4H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-diamino-4-(2-chlorophenyl)-1-propyl-4H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-diamino-4-(2-chlorophenyl)-1-propyl-4H-pyridine-3,5-dicarbonitrile is CCCN1C(N)=C(C#N)C(c2ccccc2Cl)C(C#N)=C1N.
What is the InChIKey of 2,6-diamino-4-(2-chlorophenyl)-1-propyl-4H-pyridine-3,5-dicarbonitrile?
The InChIKey is QLWLAPLNHFIWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5/c1-2-7-22-15(20)11(8-18)14(12(9-19)16(22)21)10-5-3-4-6-13(10)17/h3-6,14H,2,7,20-21H2,1H3.
What are the key properties of 2,6-diamino-4-(2-chlorophenyl)-1-propyl-4H-pyridine-3,5-dicarbonitrile?
2,6-diamino-4-(2-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-(2-chlorophenyl)-1-propyl-4H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 122217476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).