2-amino-4-(4-chlorophenyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile

C17H14ClN5 — CID 672442

IUPAC2-amino-4-(4-chlorophenyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(N2CCCC2)c(C#N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN5/c18-12-5-3-11(4-6-12)15-13(9-19)16(21)22-17(14(15)10-20)23-7-1-2-8-23/h3-6H,1-2,7-8H2,(H2,21,22)
InChIKeyXNFWPMDZZXHZFQ-UHFFFAOYSA-N
MW323.79 g/mol
LogP3.33
Rot. Bonds2

About 2-amino-4-(4-chlorophenyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile

2-amino-4-(4-chlorophenyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile (PubChem CID 672442) has the molecular formula C17H14ClN5 and a molecular weight of 323.79 g/mol. Its IUPAC name is 2-amino-4-(4-chlorophenyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-chlorophenyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile
PubChem CID672442
Molecular FormulaC17H14ClN5
Molecular Weight323.79 g/mol
Exact Mass323.09
IUPAC Name2-amino-4-(4-chlorophenyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(N2CCCC2)c(C#N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN5/c18-12-5-3-11(4-6-12)15-13(9-19)16(21)22-17(14(15)10-20)23-7-1-2-8-23/h3-6H,1-2,7-8H2,(H2,21,22)
InChIKeyXNFWPMDZZXHZFQ-UHFFFAOYSA-N
XLogP3.33
TPSA89.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.79
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-4-(4-chlorophenyl)-6-phenylnicotinonitrile
CID 711464
4-(4-Chlorophenyl)-2-(methylamino)pyridine-3-carbonitrile
CID 1487468
2-[4-(1-Benzylpiperidin-4-yl)butylamino]-6-chloropyridine-3,5-dicarbonitrile
CID 72374595
2-[4-(1-Benzylpiperidin-4-yl)butylamino]-6-chloro-4-phenylpyridine-3,5-dicarbonitrile
CID 72376171
2-[3-(1-Benzylpiperidin-4-yl)propylamino]-6-chloropyridine-3,5-dicarbonitrile
CID 72376172
2-Amino-4-phenyl-6-(pyrrolidin-1-yl)pyridine-3,5-dicarbonitrile
CID 684664
6-(4-Chlorophenyl)-2-(diethylamino)-4-(trifluoromethyl)nicotinonitrile
CID 3814430
2-Amino-4-(2,6-dichlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile
CID 16721101
2-Amino-4-(2-chlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile
CID 24205398
2-Amino-4-(4-chlorophenyl)-6-morpholinopyridine-3,5-dicarbonitrile
CID 24205401
5-(4-Chlorophenyl)-6-(2,4-dichlorophenyl)-2-(piperidin-1-yl)nicotinonitrile
CID 44440995
2-Chloro-6-(pyrrolidin-1''-yl)pyridine-3,5-dicarbonitrile
CID 46927952

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-chlorophenyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-chlorophenyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile (CID 672442) is 2-amino-4-(4-chlorophenyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(4-chlorophenyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-chlorophenyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(N2CCCC2)c(C#N)c1-c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-4-(4-chlorophenyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile?
The InChIKey is XNFWPMDZZXHZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5/c18-12-5-3-11(4-6-12)15-13(9-19)16(21)22-17(14(15)10-20)23-7-1-2-8-23/h3-6H,1-2,7-8H2,(H2,21,22).
What are the key properties of 2-amino-4-(4-chlorophenyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile?
2-amino-4-(4-chlorophenyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile has a molecular weight of 323.79 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-chlorophenyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 672442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).