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

C19H21N5O — CID 109208545

IUPAC2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
SMILESCCN1CCN(C(=O)c2cc(Nc3ccccc3C#N)ccn2)CC1
InChIInChI=1S/C19H21N5O/c1-2-23-9-11-24(12-10-23)19(25)18-13-16(7-8-21-18)22-17-6-4-3-5-15(17)14-20/h3-8,13H,2,9-12H2,1H3,(H,21,22)
InChIKeyLXNJEBKOJFCVSQ-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.47
Rot. Bonds4

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

2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile (PubChem CID 109208545) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile.

Molecular Properties

Compound Name2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
PubChem CID109208545
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
SMILESCCN1CCN(C(=O)c2cc(Nc3ccccc3C#N)ccn2)CC1
InChIInChI=1S/C19H21N5O/c1-2-23-9-11-24(12-10-23)19(25)18-13-16(7-8-21-18)22-17-6-4-3-5-15(17)14-20/h3-8,13H,2,9-12H2,1H3,(H,21,22)
InChIKeyLXNJEBKOJFCVSQ-UHFFFAOYSA-N
XLogP2.47
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109215207
3-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109208546
methyl 2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109208518
[4-(3,5-dichloroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109208539
[4-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109208531
2-[[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109219683
4-(2-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109222697
2-[[6-(4-acetylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile
CID 109346116
[4-(2-ethoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203739
N-(2-cyanophenyl)-4-(2-ethylanilino)pyridine-2-carboxamide
CID 109220187
[4-(2-ethoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204483
ethyl 2-[[2-(4-acetylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109209133

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile?
The IUPAC name of 2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile (CID 109208545) is 2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile.
What is the SMILES notation for 2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile?
The canonical SMILES for 2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile is CCN1CCN(C(=O)c2cc(Nc3ccccc3C#N)ccn2)CC1.
What is the InChIKey of 2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile?
The InChIKey is LXNJEBKOJFCVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-2-23-9-11-24(12-10-23)19(25)18-13-16(7-8-21-18)22-17-6-4-3-5-15(17)14-20/h3-8,13H,2,9-12H2,1H3,(H,21,22).
What are the key properties of 2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile?
2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile has a molecular weight of 335.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile is sourced from PubChem (CID 109208545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).