2-[[4-(4-benzylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzonitrile

C24H23N5O — CID 109312457

IUPAC2-[[4-(4-benzylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzonitrile
SMILESN#Cc1ccccc1Nc1nccc(C(=O)N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C24H23N5O/c25-17-20-8-4-5-9-21(20)27-24-26-13-10-22(28-24)23(30)29-14-11-19(12-15-29)16-18-6-2-1-3-7-18/h1-10,13,19H,11-12,14-16H2,(H,26,27,28)
InChIKeyREKGEJXYZDAQAM-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.19
Rot. Bonds5

About 2-[[4-(4-benzylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzonitrile

2-[[4-(4-benzylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzonitrile (PubChem CID 109312457) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[[4-(4-benzylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzonitrile.

Molecular Properties

Compound Name2-[[4-(4-benzylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzonitrile
PubChem CID109312457
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name2-[[4-(4-benzylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzonitrile
SMILESN#Cc1ccccc1Nc1nccc(C(=O)N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C24H23N5O/c25-17-20-8-4-5-9-21(20)27-24-26-13-10-22(28-24)23(30)29-14-11-19(12-15-29)16-18-6-2-1-3-7-18/h1-10,13,19H,11-12,14-16H2,(H,26,27,28)
InChIKeyREKGEJXYZDAQAM-UHFFFAOYSA-N
XLogP4.19
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(4-benzylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzonitrile
CID 109161608
2-(2-cyanoanilino)-N-cyclopropylpyrimidine-4-carboxamide
CID 109295903
[2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299223
[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109297729
(4-benzylpiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109302082
[2-(2-chloroanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299236
[2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302276
(4-methylpiperidin-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 109299227
[2-(2-methoxyanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299249
[2-(2-ethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109309526
(4-benzylpiperidin-1-yl)-[2-[butyl(methyl)amino]pyrimidin-4-yl]methanone
CID 109312199
(2-anilinopyrimidin-5-yl)-(4-benzylpiperidin-1-yl)methanone
CID 72902882

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-benzylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzonitrile?
The IUPAC name of 2-[[4-(4-benzylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzonitrile (CID 109312457) is 2-[[4-(4-benzylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzonitrile.
What is the SMILES notation for 2-[[4-(4-benzylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzonitrile?
The canonical SMILES for 2-[[4-(4-benzylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzonitrile is N#Cc1ccccc1Nc1nccc(C(=O)N2CCC(Cc3ccccc3)CC2)n1.
What is the InChIKey of 2-[[4-(4-benzylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzonitrile?
The InChIKey is REKGEJXYZDAQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c25-17-20-8-4-5-9-21(20)27-24-26-13-10-22(28-24)23(30)29-14-11-19(12-15-29)16-18-6-2-1-3-7-18/h1-10,13,19H,11-12,14-16H2,(H,26,27,28).
What are the key properties of 2-[[4-(4-benzylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzonitrile?
2-[[4-(4-benzylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzonitrile has a molecular weight of 397.48 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-benzylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzonitrile is sourced from PubChem (CID 109312457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).