2-[[6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile

C21H19N7O — CID 109353174

IUPAC2-[[6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile
SMILESN#Cc1ccccc1Nc1cc(C(=O)N2CCN(c3ccccn3)CC2)ncn1
InChIInChI=1S/C21H19N7O/c22-14-16-5-1-2-6-17(16)26-19-13-18(24-15-25-19)21(29)28-11-9-27(10-12-28)20-7-3-4-8-23-20/h1-8,13,15H,9-12H2,(H,24,25,26)
InChIKeyQKZOADABMKWHOZ-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.45
Rot. Bonds4

About 2-[[6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile

2-[[6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile (PubChem CID 109353174) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-[[6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile.

Molecular Properties

Compound Name2-[[6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile
PubChem CID109353174
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC Name2-[[6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile
SMILESN#Cc1ccccc1Nc1cc(C(=O)N2CCN(c3ccccn3)CC2)ncn1
InChIInChI=1S/C21H19N7O/c22-14-16-5-1-2-6-17(16)26-19-13-18(24-15-25-19)21(29)28-11-9-27(10-12-28)20-7-3-4-8-23-20/h1-8,13,15H,9-12H2,(H,24,25,26)
InChIKeyQKZOADABMKWHOZ-UHFFFAOYSA-N
XLogP2.45
TPSA98.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[2-methyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile
CID 109373230
2-[[6-(4-acetylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile
CID 109346116
3-[[6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile
CID 109353175
[6-(3-methoxyanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109353170
2-[[6-(4-formylpiperazin-1-yl)pyrimidin-4-yl]amino]benzonitrile
CID 112858368
2-[[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109215207
[2-(2-methylanilino)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174558
4-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109345747
3-[[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109216243
3-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carbonyl]benzonitrile
CID 122349108
[4-(2-chloroanilino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109216233
[2-(2,6-dimethylanilino)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174568

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile?
The IUPAC name of 2-[[6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile (CID 109353174) is 2-[[6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile.
What is the SMILES notation for 2-[[6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile?
The canonical SMILES for 2-[[6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile is N#Cc1ccccc1Nc1cc(C(=O)N2CCN(c3ccccn3)CC2)ncn1.
What is the InChIKey of 2-[[6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile?
The InChIKey is QKZOADABMKWHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c22-14-16-5-1-2-6-17(16)26-19-13-18(24-15-25-19)21(29)28-11-9-27(10-12-28)20-7-3-4-8-23-20/h1-8,13,15H,9-12H2,(H,24,25,26).
What are the key properties of 2-[[6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile?
2-[[6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile has a molecular weight of 385.43 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile is sourced from PubChem (CID 109353174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).