2-amino-6-phenyl-4-piperazin-1-ylpyridine-3-carbonitrile

C16H17N5 — CID 142128761

IUPAC2-amino-6-phenyl-4-piperazin-1-ylpyridine-3-carbonitrile
SMILESN#Cc1c(N2CCNCC2)cc(-c2ccccc2)nc1N
InChIInChI=1S/C16H17N5/c17-11-13-15(21-8-6-19-7-9-21)10-14(20-16(13)18)12-4-2-1-3-5-12/h1-5,10,19H,6-9H2,(H2,18,20)
InChIKeySTMOLAMTIFUJTL-UHFFFAOYSA-N
MW279.35 g/mol
LogP1.61
Rot. Bonds2

About 2-amino-6-phenyl-4-piperazin-1-ylpyridine-3-carbonitrile

2-amino-6-phenyl-4-piperazin-1-ylpyridine-3-carbonitrile (PubChem CID 142128761) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-amino-6-phenyl-4-piperazin-1-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-phenyl-4-piperazin-1-ylpyridine-3-carbonitrile
PubChem CID142128761
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name2-amino-6-phenyl-4-piperazin-1-ylpyridine-3-carbonitrile
SMILESN#Cc1c(N2CCNCC2)cc(-c2ccccc2)nc1N
InChIInChI=1S/C16H17N5/c17-11-13-15(21-8-6-19-7-9-21)10-14(20-16(13)18)12-4-2-1-3-5-12/h1-5,10,19H,6-9H2,(H2,18,20)
InChIKeySTMOLAMTIFUJTL-UHFFFAOYSA-N
XLogP1.61
TPSA77.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(4-methylpiperidin-1-yl)-6-naphthalen-2-ylpyridine-3-carbonitrile
CID 11824071
2-amino-4-(2,5-dimethylphenyl)-6-phenylpyridine-3-carbonitrile
CID 3351973
2-amino-4-(4-tert-butylphenyl)-6-phenylpyridine-3-carbonitrile
CID 3350002
5-phenyl-3-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 44625997
7-methoxy-2-phenyl-4-piperazin-1-ylquinoline
CID 121237208
chlorobenzene;3-chloro-4-piperazin-1-ylbenzonitrile
CID 143237690
4,6-diphenyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
CID 11099418
2,4-diphenyl-6-(2-piperazin-1-yl-4-pyridinyl)pyrimidine
CID 171686343
2-amino-4-[4-(dimethylamino)phenyl]-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4659292
2-amino-6-phenyl-4-(2,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3353886
2-amino-4-[3-(4-chlorophenyl)phenyl]-6-phenylpyridine-3-carbonitrile
CID 139222472
ethane;2-piperazin-1-ylbenzonitrile
CID 91561805

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-phenyl-4-piperazin-1-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-phenyl-4-piperazin-1-ylpyridine-3-carbonitrile (CID 142128761) is 2-amino-6-phenyl-4-piperazin-1-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-phenyl-4-piperazin-1-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-phenyl-4-piperazin-1-ylpyridine-3-carbonitrile is N#Cc1c(N2CCNCC2)cc(-c2ccccc2)nc1N.
What is the InChIKey of 2-amino-6-phenyl-4-piperazin-1-ylpyridine-3-carbonitrile?
The InChIKey is STMOLAMTIFUJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c17-11-13-15(21-8-6-19-7-9-21)10-14(20-16(13)18)12-4-2-1-3-5-12/h1-5,10,19H,6-9H2,(H2,18,20).
What are the key properties of 2-amino-6-phenyl-4-piperazin-1-ylpyridine-3-carbonitrile?
2-amino-6-phenyl-4-piperazin-1-ylpyridine-3-carbonitrile has a molecular weight of 279.35 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-phenyl-4-piperazin-1-ylpyridine-3-carbonitrile is sourced from PubChem (CID 142128761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).