5-[(E)-2-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]ethenyl]pyridine-3-carbonitrile

C25H24FN5O — CID 118057756

IUPAC5-[(E)-2-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]ethenyl]pyridine-3-carbonitrile
SMILESCOc1cc(F)cc(-c2cncc(/C=C/c3cncc(C#N)c3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C25H24FN5O/c1-32-23-10-20(9-21(26)11-23)24-16-30-15-19(25(24)31-6-4-22(28)5-7-31)3-2-17-8-18(12-27)14-29-13-17/h2-3,8-11,13-16,22H,4-7,28H2,1H3/b3-2+
InChIKeyQNPAURBCPLQIIK-NSCUHMNNSA-N
MW429.50 g/mol
LogP4.26
Rot. Bonds5

About 5-[(E)-2-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]ethenyl]pyridine-3-carbonitrile

5-[(E)-2-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]ethenyl]pyridine-3-carbonitrile (PubChem CID 118057756) has the molecular formula C25H24FN5O and a molecular weight of 429.50 g/mol. Its IUPAC name is 5-[(E)-2-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]ethenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(E)-2-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]ethenyl]pyridine-3-carbonitrile
PubChem CID118057756
Molecular FormulaC25H24FN5O
Molecular Weight429.50 g/mol
Exact Mass429.20
IUPAC Name5-[(E)-2-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]ethenyl]pyridine-3-carbonitrile
SMILESCOc1cc(F)cc(-c2cncc(/C=C/c3cncc(C#N)c3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C25H24FN5O/c1-32-23-10-20(9-21(26)11-23)24-16-30-15-19(25(24)31-6-4-22(28)5-7-31)3-2-17-8-18(12-27)14-29-13-17/h2-3,8-11,13-16,22H,4-7,28H2,1H3/b3-2+
InChIKeyQNPAURBCPLQIIK-NSCUHMNNSA-N
XLogP4.26
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(3-fluoro-5-methylphenyl)-5-[(E)-2-(3-fluorophenyl)ethenyl]-4-pyridinyl]piperidin-4-amine
CID 118057695
1-[3-(3-fluoro-5-methylphenyl)-5-(3-methoxy-4-methylphenyl)-4-pyridinyl]piperidin-4-amine
CID 118057706
tert-butyl N-[(3S)-1-[3-(3-cyano-5-fluorophenyl)-5-formyl-4-pyridinyl]pyrrolidin-3-yl]carbamate
CID 139392901
1-[3-(3,5-dimethoxyphenyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-4-pyridinyl]piperidin-4-amine
CID 118057436
methyl N-[3-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-5-cyano-4-pyridinyl]carbamate
CID 140837203
1-[3-(3-cyclopropyl-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
CID 118057652
2-[2-amino-4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-pyridinyl]-7-fluoro-3H-benzimidazole-5-carbonitrile
CID 135329391
methyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-6-cyanophenyl]carbamate
CID 134168308
1-[3-(3-fluoro-5-methylphenyl)-5-(4-methylcyclohexen-1-yl)-4-pyridinyl]piperidin-4-amine
CID 118312908
2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]benzonitrile
CID 171344151
(4aS,8aS)-6-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine;(4aR,8aR)-6-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine
CID 159243997
3-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-2-(cyanomethoxy)benzonitrile
CID 140837011

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]ethenyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[(E)-2-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]ethenyl]pyridine-3-carbonitrile (CID 118057756) is 5-[(E)-2-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]ethenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(E)-2-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]ethenyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[(E)-2-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]ethenyl]pyridine-3-carbonitrile is COc1cc(F)cc(-c2cncc(/C=C/c3cncc(C#N)c3)c2N2CCC(N)CC2)c1.
What is the InChIKey of 5-[(E)-2-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]ethenyl]pyridine-3-carbonitrile?
The InChIKey is QNPAURBCPLQIIK-NSCUHMNNSA-N. The full InChI is InChI=1S/C25H24FN5O/c1-32-23-10-20(9-21(26)11-23)24-16-30-15-19(25(24)31-6-4-22(28)5-7-31)3-2-17-8-18(12-27)14-29-13-17/h2-3,8-11,13-16,22H,4-7,28H2,1H3/b3-2+.
What are the key properties of 5-[(E)-2-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]ethenyl]pyridine-3-carbonitrile?
5-[(E)-2-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]ethenyl]pyridine-3-carbonitrile has a molecular weight of 429.50 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]ethenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 118057756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).