2-chloro-6-[5-(diethylamino)pentan-2-ylamino]pyridine-4-carbonitrile

C15H23ClN4 — CID 83073411

IUPAC2-chloro-6-[5-(diethylamino)pentan-2-ylamino]pyridine-4-carbonitrile
SMILESCCN(CC)CCCC(C)Nc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C15H23ClN4/c1-4-20(5-2)8-6-7-12(3)18-15-10-13(11-17)9-14(16)19-15/h9-10,12H,4-8H2,1-3H3,(H,18,19)
InChIKeyAERBWFYSNRXAHN-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.53
Rot. Bonds8

About 2-chloro-6-[5-(diethylamino)pentan-2-ylamino]pyridine-4-carbonitrile

2-chloro-6-[5-(diethylamino)pentan-2-ylamino]pyridine-4-carbonitrile (PubChem CID 83073411) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-chloro-6-[5-(diethylamino)pentan-2-ylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[5-(diethylamino)pentan-2-ylamino]pyridine-4-carbonitrile
PubChem CID83073411
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC Name2-chloro-6-[5-(diethylamino)pentan-2-ylamino]pyridine-4-carbonitrile
SMILESCCN(CC)CCCC(C)Nc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C15H23ClN4/c1-4-20(5-2)8-6-7-12(3)18-15-10-13(11-17)9-14(16)19-15/h9-10,12H,4-8H2,1-3H3,(H,18,19)
InChIKeyAERBWFYSNRXAHN-UHFFFAOYSA-N
XLogP3.53
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(butan-2-ylamino)-6-chloropyridine-4-carbonitrile
CID 83072944
6-[5-(diethylamino)pentan-2-ylamino]pyridine-3-carbonitrile
CID 24692421
4-[5-(diethylamino)pentan-2-ylamino]-3,5-difluorobenzonitrile
CID 81285374
4-[5-(diethylamino)pentan-2-ylamino]-2-methyl-1H-pyrimidin-6-one
CID 136955975
4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-2,4,6-triamine
CID 80785658
2-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-4-carbonitrile
CID 106352536
4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 66325658
2-chloro-6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-4-carbonitrile
CID 83073128
2-chloro-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-4-carbonitrile
CID 83073946
4-N-(4,6-dimethoxypyrimidin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 115354932
2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carbonitrile
CID 83072956
(4S)-1-N,1-N-diethyl-4-N-quinolin-2-ylpentane-1,4-diamine
CID 36691119

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[5-(diethylamino)pentan-2-ylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[5-(diethylamino)pentan-2-ylamino]pyridine-4-carbonitrile (CID 83073411) is 2-chloro-6-[5-(diethylamino)pentan-2-ylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[5-(diethylamino)pentan-2-ylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[5-(diethylamino)pentan-2-ylamino]pyridine-4-carbonitrile is CCN(CC)CCCC(C)Nc1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[5-(diethylamino)pentan-2-ylamino]pyridine-4-carbonitrile?
The InChIKey is AERBWFYSNRXAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4/c1-4-20(5-2)8-6-7-12(3)18-15-10-13(11-17)9-14(16)19-15/h9-10,12H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 2-chloro-6-[5-(diethylamino)pentan-2-ylamino]pyridine-4-carbonitrile?
2-chloro-6-[5-(diethylamino)pentan-2-ylamino]pyridine-4-carbonitrile has a molecular weight of 294.83 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[5-(diethylamino)pentan-2-ylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 83073411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).