4-[5-(4-aminopiperidin-1-yl)-1-methyl-2-(4-methylphenyl)-6-oxo-3-pyridinyl]benzonitrile

C25H26N4O — CID 118614505

IUPAC4-[5-(4-aminopiperidin-1-yl)-1-methyl-2-(4-methylphenyl)-6-oxo-3-pyridinyl]benzonitrile
SMILESCc1ccc(-c2c(-c3ccc(C#N)cc3)cc(N3CCC(N)CC3)c(=O)n2C)cc1
InChIInChI=1S/C25H26N4O/c1-17-3-7-20(8-4-17)24-22(19-9-5-18(16-26)6-10-19)15-23(25(30)28(24)2)29-13-11-21(27)12-14-29/h3-10,15,21H,11-14,27H2,1-2H3
InChIKeyIZLXYASYOTWPIV-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.83
Rot. Bonds3

About 4-[5-(4-aminopiperidin-1-yl)-1-methyl-2-(4-methylphenyl)-6-oxo-3-pyridinyl]benzonitrile

4-[5-(4-aminopiperidin-1-yl)-1-methyl-2-(4-methylphenyl)-6-oxo-3-pyridinyl]benzonitrile (PubChem CID 118614505) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-[5-(4-aminopiperidin-1-yl)-1-methyl-2-(4-methylphenyl)-6-oxo-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[5-(4-aminopiperidin-1-yl)-1-methyl-2-(4-methylphenyl)-6-oxo-3-pyridinyl]benzonitrile
PubChem CID118614505
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name4-[5-(4-aminopiperidin-1-yl)-1-methyl-2-(4-methylphenyl)-6-oxo-3-pyridinyl]benzonitrile
SMILESCc1ccc(-c2c(-c3ccc(C#N)cc3)cc(N3CCC(N)CC3)c(=O)n2C)cc1
InChIInChI=1S/C25H26N4O/c1-17-3-7-20(8-4-17)24-22(19-9-5-18(16-26)6-10-19)15-23(25(30)28(24)2)29-13-11-21(27)12-14-29/h3-10,15,21H,11-14,27H2,1-2H3
InChIKeyIZLXYASYOTWPIV-UHFFFAOYSA-N
XLogP3.83
TPSA75.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-(4-aminopiperidin-1-yl)-1-methyl-2-(4-methylphenyl)-6-oxo-3-pyridinyl]benzonitrile with MolForge

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Related Compounds

US11028066, Example 47
CID 118610149
Benzonitrile, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)-
CID 454352
US11028066, Example 48
CID 118610184
US11028066, Example 16
CID 118610191
1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-(1-p-tolyl-ethylamino)-1H-pyridin-2-one
CID 44269868
2-(1-Benzyl-piperidin-4-ylamino)-1-(4-methyl-2-phenyl-piperazin-1-yl)-ethanone
CID 44337514
4-[[2-(4-Aminopiperidin-1-yl)-2-oxoethyl]-[(4-methylphenyl)methyl]amino]benzonitrile
CID 137645096
4-[4-[(1R,2S)-2-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]cyclopropyl]phenyl]benzonitrile
CID 90654157
US11028066, Example 3
CID 118610148
US11028066, Example 72
CID 118610151
US11028066, Example 8
CID 118610172
US11028066, Example 9
CID 118610192

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-aminopiperidin-1-yl)-1-methyl-2-(4-methylphenyl)-6-oxo-3-pyridinyl]benzonitrile?
The IUPAC name of 4-[5-(4-aminopiperidin-1-yl)-1-methyl-2-(4-methylphenyl)-6-oxo-3-pyridinyl]benzonitrile (CID 118614505) is 4-[5-(4-aminopiperidin-1-yl)-1-methyl-2-(4-methylphenyl)-6-oxo-3-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[5-(4-aminopiperidin-1-yl)-1-methyl-2-(4-methylphenyl)-6-oxo-3-pyridinyl]benzonitrile?
The canonical SMILES for 4-[5-(4-aminopiperidin-1-yl)-1-methyl-2-(4-methylphenyl)-6-oxo-3-pyridinyl]benzonitrile is Cc1ccc(-c2c(-c3ccc(C#N)cc3)cc(N3CCC(N)CC3)c(=O)n2C)cc1.
What is the InChIKey of 4-[5-(4-aminopiperidin-1-yl)-1-methyl-2-(4-methylphenyl)-6-oxo-3-pyridinyl]benzonitrile?
The InChIKey is IZLXYASYOTWPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-17-3-7-20(8-4-17)24-22(19-9-5-18(16-26)6-10-19)15-23(25(30)28(24)2)29-13-11-21(27)12-14-29/h3-10,15,21H,11-14,27H2,1-2H3.
What are the key properties of 4-[5-(4-aminopiperidin-1-yl)-1-methyl-2-(4-methylphenyl)-6-oxo-3-pyridinyl]benzonitrile?
4-[5-(4-aminopiperidin-1-yl)-1-methyl-2-(4-methylphenyl)-6-oxo-3-pyridinyl]benzonitrile has a molecular weight of 398.51 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-aminopiperidin-1-yl)-1-methyl-2-(4-methylphenyl)-6-oxo-3-pyridinyl]benzonitrile is sourced from PubChem (CID 118614505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).