2-[[5-(4-benzylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzonitrile

C25H24N4O — CID 109161608

IUPAC2-[[5-(4-benzylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzonitrile
SMILESN#Cc1ccccc1Nc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C25H24N4O/c26-17-21-8-4-5-9-23(21)28-24-11-10-22(18-27-24)25(30)29-14-12-20(13-15-29)16-19-6-2-1-3-7-19/h1-11,18,20H,12-16H2,(H,27,28)
InChIKeyLHCFRKDEIMFHEW-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.79
Rot. Bonds5

About 2-[[5-(4-benzylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzonitrile

2-[[5-(4-benzylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzonitrile (PubChem CID 109161608) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[[5-(4-benzylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzonitrile.

Molecular Properties

Compound Name2-[[5-(4-benzylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzonitrile
PubChem CID109161608
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-[[5-(4-benzylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzonitrile
SMILESN#Cc1ccccc1Nc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C25H24N4O/c26-17-21-8-4-5-9-23(21)28-24-11-10-22(18-27-24)25(30)29-14-12-20(13-15-29)16-19-6-2-1-3-7-19/h1-11,18,20H,12-16H2,(H,27,28)
InChIKeyLHCFRKDEIMFHEW-UHFFFAOYSA-N
XLogP4.79
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(4-benzylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzonitrile
CID 109312457
(2-anilinopyrimidin-5-yl)-(4-benzylpiperidin-1-yl)methanone
CID 72902882
(4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 109152306
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152629
(4-benzylpiperidin-1-yl)-(4-nitrophenyl)methanone
CID 814715
(4-benzylpiperidin-1-yl)-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone
CID 164898776
(4-benzylpiperidin-1-yl)-pyrido[2,3-b]pyrazin-7-ylmethanone
CID 110855826
azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone
CID 109264112
N'-(2-cyanophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
CID 71786297
3-[[6-(4-benzylpiperidine-1-carbonyl)pyridazin-3-yl]amino]benzonitrile
CID 109125780

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-benzylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzonitrile?
The IUPAC name of 2-[[5-(4-benzylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzonitrile (CID 109161608) is 2-[[5-(4-benzylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzonitrile.
What is the SMILES notation for 2-[[5-(4-benzylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzonitrile?
The canonical SMILES for 2-[[5-(4-benzylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzonitrile is N#Cc1ccccc1Nc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cn1.
What is the InChIKey of 2-[[5-(4-benzylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzonitrile?
The InChIKey is LHCFRKDEIMFHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c26-17-21-8-4-5-9-23(21)28-24-11-10-22(18-27-24)25(30)29-14-12-20(13-15-29)16-19-6-2-1-3-7-19/h1-11,18,20H,12-16H2,(H,27,28).
What are the key properties of 2-[[5-(4-benzylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzonitrile?
2-[[5-(4-benzylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzonitrile has a molecular weight of 396.49 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-benzylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzonitrile is sourced from PubChem (CID 109161608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).