2-(4-hydrazinyl-2-methylpentoxy)-5-[2-(piperidin-4-ylamino)-4-pyridinyl]benzonitrile

C23H32N6O — CID 146260374

IUPAC2-(4-hydrazinyl-2-methylpentoxy)-5-[2-(piperidin-4-ylamino)-4-pyridinyl]benzonitrile
SMILESCC(COc1ccc(-c2ccnc(NC3CCNCC3)c2)cc1C#N)CC(C)NN
InChIInChI=1S/C23H32N6O/c1-16(11-17(2)29-25)15-30-22-4-3-18(12-20(22)14-24)19-5-10-27-23(13-19)28-21-6-8-26-9-7-21/h3-5,10,12-13,16-17,21,26,29H,6-9,11,15,25H2,1-2H3,(H,27,28)
InChIKeyLVVXVYHUKFLCGU-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.04
Rot. Bonds9

About 2-(4-hydrazinyl-2-methylpentoxy)-5-[2-(piperidin-4-ylamino)-4-pyridinyl]benzonitrile

2-(4-hydrazinyl-2-methylpentoxy)-5-[2-(piperidin-4-ylamino)-4-pyridinyl]benzonitrile (PubChem CID 146260374) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is 2-(4-hydrazinyl-2-methylpentoxy)-5-[2-(piperidin-4-ylamino)-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-(4-hydrazinyl-2-methylpentoxy)-5-[2-(piperidin-4-ylamino)-4-pyridinyl]benzonitrile
PubChem CID146260374
Molecular FormulaC23H32N6O
Molecular Weight408.55 g/mol
Exact Mass408.26
IUPAC Name2-(4-hydrazinyl-2-methylpentoxy)-5-[2-(piperidin-4-ylamino)-4-pyridinyl]benzonitrile
SMILESCC(COc1ccc(-c2ccnc(NC3CCNCC3)c2)cc1C#N)CC(C)NN
InChIInChI=1S/C23H32N6O/c1-16(11-17(2)29-25)15-30-22-4-3-18(12-20(22)14-24)19-5-10-27-23(13-19)28-21-6-8-26-9-7-21/h3-5,10,12-13,16-17,21,26,29H,6-9,11,15,25H2,1-2H3,(H,27,28)
InChIKeyLVVXVYHUKFLCGU-UHFFFAOYSA-N
XLogP3.04
TPSA108.02 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-2,4-dimethylpentoxy)-5-[2-(piperidin-4-ylamino)-4-pyridinyl]benzonitrile
CID 135284472
tert-butyl carbamate;2-(2,4-dimethylpentoxy)-5-[2-(oxan-4-ylamino)-4-pyridinyl]benzonitrile
CID 145286318
2-(piperidin-4-ylmethoxy)-5-[2-(1H-pyrazol-4-ylamino)-4-pyridinyl]benzonitrile
CID 90338245
tert-butyl N-[(2S)-1-[2-cyano-4-[2-(4-piperidin-4-ylanilino)-4-pyridinyl]phenoxy]-4-methylpentan-2-yl]carbamate
CID 178093912
2-[(2S)-2-amino-4-methylpentoxy]-5-(2-methyl-4-pyridinyl)benzonitrile
CID 118420229
4-[[4-[3-cyano-4-[(2S)-2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]phenyl]-2-pyridinyl]amino]piperidine-1-carboxylic acid
CID 175161139
tert-butyl 4-[[4-[3-cyano-4-[2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]phenyl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 137459500
5-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2,4-dimethylpentoxy)benzonitrile
CID 145286192
4-methoxy-N-piperidin-4-ylpyridin-2-amine
CID 11458426
2-[[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 71295188
N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-cyanophenyl]-2-pyridinyl]propanamide
CID 152925171
N-[4-[3-cyano-4-[(3R,4S)-3-fluoropiperidin-4-yl]oxyphenyl]-2-pyridinyl]-2-methylcyclopropane-1-carboxamide
CID 129244007

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydrazinyl-2-methylpentoxy)-5-[2-(piperidin-4-ylamino)-4-pyridinyl]benzonitrile?
The IUPAC name of 2-(4-hydrazinyl-2-methylpentoxy)-5-[2-(piperidin-4-ylamino)-4-pyridinyl]benzonitrile (CID 146260374) is 2-(4-hydrazinyl-2-methylpentoxy)-5-[2-(piperidin-4-ylamino)-4-pyridinyl]benzonitrile.
What is the SMILES notation for 2-(4-hydrazinyl-2-methylpentoxy)-5-[2-(piperidin-4-ylamino)-4-pyridinyl]benzonitrile?
The canonical SMILES for 2-(4-hydrazinyl-2-methylpentoxy)-5-[2-(piperidin-4-ylamino)-4-pyridinyl]benzonitrile is CC(COc1ccc(-c2ccnc(NC3CCNCC3)c2)cc1C#N)CC(C)NN.
What is the InChIKey of 2-(4-hydrazinyl-2-methylpentoxy)-5-[2-(piperidin-4-ylamino)-4-pyridinyl]benzonitrile?
The InChIKey is LVVXVYHUKFLCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O/c1-16(11-17(2)29-25)15-30-22-4-3-18(12-20(22)14-24)19-5-10-27-23(13-19)28-21-6-8-26-9-7-21/h3-5,10,12-13,16-17,21,26,29H,6-9,11,15,25H2,1-2H3,(H,27,28).
What are the key properties of 2-(4-hydrazinyl-2-methylpentoxy)-5-[2-(piperidin-4-ylamino)-4-pyridinyl]benzonitrile?
2-(4-hydrazinyl-2-methylpentoxy)-5-[2-(piperidin-4-ylamino)-4-pyridinyl]benzonitrile has a molecular weight of 408.55 g/mol, XLogP of 3.04, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydrazinyl-2-methylpentoxy)-5-[2-(piperidin-4-ylamino)-4-pyridinyl]benzonitrile is sourced from PubChem (CID 146260374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).