5-[(2-pyridin-4-ylquinazolin-4-yl)amino]pentanenitrile

C18H17N5 — CID 133299899

IUPAC5-[(2-pyridin-4-ylquinazolin-4-yl)amino]pentanenitrile
SMILESN#CCCCCNc1nc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C18H17N5/c19-10-4-1-5-11-21-18-15-6-2-3-7-16(15)22-17(23-18)14-8-12-20-13-9-14/h2-3,6-9,12-13H,1,4-5,11H2,(H,21,22,23)
InChIKeyUJLCSLNKDGBHAB-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.80
Rot. Bonds6

About 5-[(2-pyridin-4-ylquinazolin-4-yl)amino]pentanenitrile

5-[(2-pyridin-4-ylquinazolin-4-yl)amino]pentanenitrile (PubChem CID 133299899) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-[(2-pyridin-4-ylquinazolin-4-yl)amino]pentanenitrile.

Molecular Properties

Compound Name5-[(2-pyridin-4-ylquinazolin-4-yl)amino]pentanenitrile
PubChem CID133299899
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name5-[(2-pyridin-4-ylquinazolin-4-yl)amino]pentanenitrile
SMILESN#CCCCCNc1nc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C18H17N5/c19-10-4-1-5-11-21-18-15-6-2-3-7-16(15)22-17(23-18)14-8-12-20-13-9-14/h2-3,6-9,12-13H,1,4-5,11H2,(H,21,22,23)
InChIKeyUJLCSLNKDGBHAB-UHFFFAOYSA-N
XLogP3.80
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-phenylbutyl)-2-pyridin-4-ylquinazolin-4-amine
CID 142682219
N-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 121377208
N-(2,2-difluoroethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 166217645
(2S)-3-[(2-pyridin-4-ylquinazolin-4-yl)amino]propane-1,2-diol
CID 11150616
2-phenyl-N-propylquinazolin-4-amine
CID 10244508
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-ylquinazolin-4-amine
CID 31581585
2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride
CID 2789481
N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-pyridin-4-ylquinazolin-4-amine
CID 55516417
2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 10154692
N-[(3R)-2-methylpentan-3-yl]-2-pyridin-4-ylquinazolin-4-amine
CID 59389582
(2S)-2-phenyl-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]ethanol
CID 58919648
N-propyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 135368629

Frequently Asked Questions

What is the IUPAC name of 5-[(2-pyridin-4-ylquinazolin-4-yl)amino]pentanenitrile?
The IUPAC name of 5-[(2-pyridin-4-ylquinazolin-4-yl)amino]pentanenitrile (CID 133299899) is 5-[(2-pyridin-4-ylquinazolin-4-yl)amino]pentanenitrile.
What is the SMILES notation for 5-[(2-pyridin-4-ylquinazolin-4-yl)amino]pentanenitrile?
The canonical SMILES for 5-[(2-pyridin-4-ylquinazolin-4-yl)amino]pentanenitrile is N#CCCCCNc1nc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of 5-[(2-pyridin-4-ylquinazolin-4-yl)amino]pentanenitrile?
The InChIKey is UJLCSLNKDGBHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c19-10-4-1-5-11-21-18-15-6-2-3-7-16(15)22-17(23-18)14-8-12-20-13-9-14/h2-3,6-9,12-13H,1,4-5,11H2,(H,21,22,23).
What are the key properties of 5-[(2-pyridin-4-ylquinazolin-4-yl)amino]pentanenitrile?
5-[(2-pyridin-4-ylquinazolin-4-yl)amino]pentanenitrile has a molecular weight of 303.37 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-pyridin-4-ylquinazolin-4-yl)amino]pentanenitrile is sourced from PubChem (CID 133299899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).