2-[2-(quinolin-5-ylmethylamino)ethylamino]pyridine-3-carbonitrile

C18H17N5 — CID 166358644

IUPAC2-[2-(quinolin-5-ylmethylamino)ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCCNCc1cccc2ncccc12
InChIInChI=1S/C18H17N5/c19-12-14-5-2-9-22-18(14)23-11-10-20-13-15-4-1-7-17-16(15)6-3-8-21-17/h1-9,20H,10-11,13H2,(H,22,23)
InChIKeyALEREXXSXXEENK-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.70
Rot. Bonds6

About 2-[2-(quinolin-5-ylmethylamino)ethylamino]pyridine-3-carbonitrile

2-[2-(quinolin-5-ylmethylamino)ethylamino]pyridine-3-carbonitrile (PubChem CID 166358644) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-[2-(quinolin-5-ylmethylamino)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(quinolin-5-ylmethylamino)ethylamino]pyridine-3-carbonitrile
PubChem CID166358644
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name2-[2-(quinolin-5-ylmethylamino)ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCCNCc1cccc2ncccc12
InChIInChI=1S/C18H17N5/c19-12-14-5-2-9-22-18(14)23-11-10-20-13-15-4-1-7-17-16(15)6-3-8-21-17/h1-9,20H,10-11,13H2,(H,22,23)
InChIKeyALEREXXSXXEENK-UHFFFAOYSA-N
XLogP2.70
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(quinazolin-4-ylamino)ethylamino]pyridine-3-carbonitrile
CID 53498953
2-[(2-hydroxyphenyl)methylamino]pyridine-3-carbonitrile
CID 113228777
2-methoxy-N-(quinolin-5-ylmethyl)ethanamine
CID 62543986
ethane;N-methyl-1-quinolin-5-ylmethanamine
CID 163296401
N-benzyl-3-[(3-cyano-2-pyridinyl)amino]propanamide
CID 133279511
2-(3-methylsulfanylpropylamino)pyridine-3-carbonitrile
CID 63965471
2-(3-methoxypropylamino)pyridine-3-carbonitrile
CID 17221189
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-difluorobenzamide
CID 60556332
2-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
CID 24690844
2-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile
CID 60725697
2,3-dichloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzenesulfonamide
CID 51116086
2-[2-(3-chlorophenyl)ethylamino]pyridine-3-carbonitrile
CID 39743124

Frequently Asked Questions

What is the IUPAC name of 2-[2-(quinolin-5-ylmethylamino)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[2-(quinolin-5-ylmethylamino)ethylamino]pyridine-3-carbonitrile (CID 166358644) is 2-[2-(quinolin-5-ylmethylamino)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(quinolin-5-ylmethylamino)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(quinolin-5-ylmethylamino)ethylamino]pyridine-3-carbonitrile is N#Cc1cccnc1NCCNCc1cccc2ncccc12.
What is the InChIKey of 2-[2-(quinolin-5-ylmethylamino)ethylamino]pyridine-3-carbonitrile?
The InChIKey is ALEREXXSXXEENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c19-12-14-5-2-9-22-18(14)23-11-10-20-13-15-4-1-7-17-16(15)6-3-8-21-17/h1-9,20H,10-11,13H2,(H,22,23).
What are the key properties of 2-[2-(quinolin-5-ylmethylamino)ethylamino]pyridine-3-carbonitrile?
2-[2-(quinolin-5-ylmethylamino)ethylamino]pyridine-3-carbonitrile has a molecular weight of 303.37 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(quinolin-5-ylmethylamino)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 166358644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).