2-amino-4-[3-(4-fluoro-2-pyridinyl)phenyl]-6-piperidin-1-ylpyridine-3,5-dicarbonitrile

C23H19FN6 — CID 170319393

IUPAC2-amino-4-[3-(4-fluoro-2-pyridinyl)phenyl]-6-piperidin-1-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(N2CCCCC2)c(C#N)c1-c1cccc(-c2cc(F)ccn2)c1
InChIInChI=1S/C23H19FN6/c24-17-7-8-28-20(12-17)15-5-4-6-16(11-15)21-18(13-25)22(27)29-23(19(21)14-26)30-9-2-1-3-10-30/h4-8,11-12H,1-3,9-10H2,(H2,27,29)
InChIKeyKNUNTADMKLNFBV-UHFFFAOYSA-N
MW398.45 g/mol
LogP4.27
Rot. Bonds3

About 2-amino-4-[3-(4-fluoro-2-pyridinyl)phenyl]-6-piperidin-1-ylpyridine-3,5-dicarbonitrile

2-amino-4-[3-(4-fluoro-2-pyridinyl)phenyl]-6-piperidin-1-ylpyridine-3,5-dicarbonitrile (PubChem CID 170319393) has the molecular formula C23H19FN6 and a molecular weight of 398.45 g/mol. Its IUPAC name is 2-amino-4-[3-(4-fluoro-2-pyridinyl)phenyl]-6-piperidin-1-ylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[3-(4-fluoro-2-pyridinyl)phenyl]-6-piperidin-1-ylpyridine-3,5-dicarbonitrile
PubChem CID170319393
Molecular FormulaC23H19FN6
Molecular Weight398.45 g/mol
Exact Mass398.17
IUPAC Name2-amino-4-[3-(4-fluoro-2-pyridinyl)phenyl]-6-piperidin-1-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(N2CCCCC2)c(C#N)c1-c1cccc(-c2cc(F)ccn2)c1
InChIInChI=1S/C23H19FN6/c24-17-7-8-28-20(12-17)15-5-4-6-16(11-15)21-18(13-25)22(27)29-23(19(21)14-26)30-9-2-1-3-10-30/h4-8,11-12H,1-3,9-10H2,(H2,27,29)
InChIKeyKNUNTADMKLNFBV-UHFFFAOYSA-N
XLogP4.27
TPSA102.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-4-[3-(6-fluoro-2-pyridinyl)phenyl]-5-isocyano-2-piperidin-1-ylpyridine-3-carbonitrile
CID 177102073
2-amino-4-(5-bromo-2-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile
CID 170319407
2-amino-4-(3-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4528748
2-amino-6-benzylsulfanyl-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile
CID 28621968
4,6-diphenyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
CID 11099418
2-amino-4-(2-piperidin-1-ylpyrimidin-5-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
CID 56863641
4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile
CID 90436574
5-amino-2,4-bis(4-methoxyphenyl)-7-pyrrolidin-1-yl-1,6-naphthyridine-8-carbonitrile
CID 101177675
2-amino-4-[(Z)-1-cyano-2-(3-nitrophenyl)ethenyl]-6-piperidin-1-ylpyridine-3,5-dicarbonitrile
CID 6217479
5,6-diphenyl-3-piperidin-1-ylpyridazine-4-carbonitrile
CID 6403511
2-amino-6-(3-chlorophenyl)-4-(2,5-difluorophenyl)pyridine-3-carbonitrile
CID 3386706
2-amino-6-(3-fluorophenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5118241

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-(4-fluoro-2-pyridinyl)phenyl]-6-piperidin-1-ylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[3-(4-fluoro-2-pyridinyl)phenyl]-6-piperidin-1-ylpyridine-3,5-dicarbonitrile (CID 170319393) is 2-amino-4-[3-(4-fluoro-2-pyridinyl)phenyl]-6-piperidin-1-ylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[3-(4-fluoro-2-pyridinyl)phenyl]-6-piperidin-1-ylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[3-(4-fluoro-2-pyridinyl)phenyl]-6-piperidin-1-ylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(N2CCCCC2)c(C#N)c1-c1cccc(-c2cc(F)ccn2)c1.
What is the InChIKey of 2-amino-4-[3-(4-fluoro-2-pyridinyl)phenyl]-6-piperidin-1-ylpyridine-3,5-dicarbonitrile?
The InChIKey is KNUNTADMKLNFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6/c24-17-7-8-28-20(12-17)15-5-4-6-16(11-15)21-18(13-25)22(27)29-23(19(21)14-26)30-9-2-1-3-10-30/h4-8,11-12H,1-3,9-10H2,(H2,27,29).
What are the key properties of 2-amino-4-[3-(4-fluoro-2-pyridinyl)phenyl]-6-piperidin-1-ylpyridine-3,5-dicarbonitrile?
2-amino-4-[3-(4-fluoro-2-pyridinyl)phenyl]-6-piperidin-1-ylpyridine-3,5-dicarbonitrile has a molecular weight of 398.45 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-(4-fluoro-2-pyridinyl)phenyl]-6-piperidin-1-ylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 170319393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).