2-amino-6-[[1-[3-cyano-6-(4-fluorophenyl)-1,2-dihydropyridin-2-yl]piperidin-3-yl]amino]pyridine-3-carbonitrile

C23H22FN7 — CID 118312361

IUPAC2-amino-6-[[1-[3-cyano-6-(4-fluorophenyl)-1,2-dihydropyridin-2-yl]piperidin-3-yl]amino]pyridine-3-carbonitrile
SMILESN#CC1=CC=C(c2ccc(F)cc2)NC1N1CCCC(Nc2ccc(C#N)c(N)n2)C1
InChIInChI=1S/C23H22FN7/c24-18-7-3-15(4-8-18)20-9-5-17(13-26)23(29-20)31-11-1-2-19(14-31)28-21-10-6-16(12-25)22(27)30-21/h3-10,19,23,29H,1-2,11,14H2,(H3,27,28,30)
InChIKeyVVSPUOKWDKXUTE-UHFFFAOYSA-N
MW415.48 g/mol
LogP2.97
Rot. Bonds4

About 2-amino-6-[[1-[3-cyano-6-(4-fluorophenyl)-1,2-dihydropyridin-2-yl]piperidin-3-yl]amino]pyridine-3-carbonitrile

2-amino-6-[[1-[3-cyano-6-(4-fluorophenyl)-1,2-dihydropyridin-2-yl]piperidin-3-yl]amino]pyridine-3-carbonitrile (PubChem CID 118312361) has the molecular formula C23H22FN7 and a molecular weight of 415.48 g/mol. Its IUPAC name is 2-amino-6-[[1-[3-cyano-6-(4-fluorophenyl)-1,2-dihydropyridin-2-yl]piperidin-3-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-[[1-[3-cyano-6-(4-fluorophenyl)-1,2-dihydropyridin-2-yl]piperidin-3-yl]amino]pyridine-3-carbonitrile
PubChem CID118312361
Molecular FormulaC23H22FN7
Molecular Weight415.48 g/mol
Exact Mass415.19
IUPAC Name2-amino-6-[[1-[3-cyano-6-(4-fluorophenyl)-1,2-dihydropyridin-2-yl]piperidin-3-yl]amino]pyridine-3-carbonitrile
SMILESN#CC1=CC=C(c2ccc(F)cc2)NC1N1CCCC(Nc2ccc(C#N)c(N)n2)C1
InChIInChI=1S/C23H22FN7/c24-18-7-3-15(4-8-18)20-9-5-17(13-26)23(29-20)31-11-1-2-19(14-31)28-21-10-6-16(12-25)22(27)30-21/h3-10,19,23,29H,1-2,11,14H2,(H3,27,28,30)
InChIKeyVVSPUOKWDKXUTE-UHFFFAOYSA-N
XLogP2.97
TPSA113.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

Blonanserin
CID 125564
2-(Piperazin-1-yl)pyridine-3-carbonitrile
CID 2737203
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
4-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzonitrile
CID 25130235
4-[2-Amino-6-(piperazin-1-yl)pyrimidin-4-yl]benzonitrile
CID 25130576
2-(Piperazin-1-yl)-5,6,7,8-tetrahydroquinoline
CID 46228433
3-[2-(6-Amino-4-Methylpyridin-2-Yl)ethyl]-5-{2-[4-Methyl-6-(Methylamino)pyridin-2-Yl]ethyl}benzonitrile
CID 86346620
N'-[6-[2-(6-Azanyl-4-Methyl-Pyridin-2-Yl)ethyl]pyridin-2-Yl]-N,N'-Dimethyl-Ethane-1,2-Diamine
CID 91808025
(6aR)-4-[(3-fluorophenyl)methyl]-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265627
2-[4-(4-Fluorophenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
CID 947920
2-[4-(1-Benzylpiperidin-4-yl)butylamino]-6-(prop-2-ynylamino)pyridine-3,5-dicarbonitrile
CID 145968525
6-Phenyl-2-piperazin-1-yl-pyrimidine-4-carbonitrile
CID 921237

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[[1-[3-cyano-6-(4-fluorophenyl)-1,2-dihydropyridin-2-yl]piperidin-3-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-[[1-[3-cyano-6-(4-fluorophenyl)-1,2-dihydropyridin-2-yl]piperidin-3-yl]amino]pyridine-3-carbonitrile (CID 118312361) is 2-amino-6-[[1-[3-cyano-6-(4-fluorophenyl)-1,2-dihydropyridin-2-yl]piperidin-3-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-[[1-[3-cyano-6-(4-fluorophenyl)-1,2-dihydropyridin-2-yl]piperidin-3-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-[[1-[3-cyano-6-(4-fluorophenyl)-1,2-dihydropyridin-2-yl]piperidin-3-yl]amino]pyridine-3-carbonitrile is N#CC1=CC=C(c2ccc(F)cc2)NC1N1CCCC(Nc2ccc(C#N)c(N)n2)C1.
What is the InChIKey of 2-amino-6-[[1-[3-cyano-6-(4-fluorophenyl)-1,2-dihydropyridin-2-yl]piperidin-3-yl]amino]pyridine-3-carbonitrile?
The InChIKey is VVSPUOKWDKXUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7/c24-18-7-3-15(4-8-18)20-9-5-17(13-26)23(29-20)31-11-1-2-19(14-31)28-21-10-6-16(12-25)22(27)30-21/h3-10,19,23,29H,1-2,11,14H2,(H3,27,28,30).
What are the key properties of 2-amino-6-[[1-[3-cyano-6-(4-fluorophenyl)-1,2-dihydropyridin-2-yl]piperidin-3-yl]amino]pyridine-3-carbonitrile?
2-amino-6-[[1-[3-cyano-6-(4-fluorophenyl)-1,2-dihydropyridin-2-yl]piperidin-3-yl]amino]pyridine-3-carbonitrile has a molecular weight of 415.48 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[[1-[3-cyano-6-(4-fluorophenyl)-1,2-dihydropyridin-2-yl]piperidin-3-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 118312361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).