2-chloro-6-[(1-ethylpiperidin-4-yl)amino]pyridine-4-carbonitrile

C13H17ClN4 — CID 106193671

IUPAC2-chloro-6-[(1-ethylpiperidin-4-yl)amino]pyridine-4-carbonitrile
SMILESCCN1CCC(Nc2cc(C#N)cc(Cl)n2)CC1
InChIInChI=1S/C13H17ClN4/c1-2-18-5-3-11(4-6-18)16-13-8-10(9-15)7-12(14)17-13/h7-8,11H,2-6H2,1H3,(H,16,17)
InChIKeyYFNCTDIELUKRKX-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.50
Rot. Bonds3

About 2-chloro-6-[(1-ethylpiperidin-4-yl)amino]pyridine-4-carbonitrile

2-chloro-6-[(1-ethylpiperidin-4-yl)amino]pyridine-4-carbonitrile (PubChem CID 106193671) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-chloro-6-[(1-ethylpiperidin-4-yl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[(1-ethylpiperidin-4-yl)amino]pyridine-4-carbonitrile
PubChem CID106193671
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name2-chloro-6-[(1-ethylpiperidin-4-yl)amino]pyridine-4-carbonitrile
SMILESCCN1CCC(Nc2cc(C#N)cc(Cl)n2)CC1
InChIInChI=1S/C13H17ClN4/c1-2-18-5-3-11(4-6-18)16-13-8-10(9-15)7-12(14)17-13/h7-8,11H,2-6H2,1H3,(H,16,17)
InChIKeyYFNCTDIELUKRKX-UHFFFAOYSA-N
XLogP2.50
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.50
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-chloro-6-[(1-propylpiperidin-4-yl)amino]pyridine-4-carbonitrile
CID 83074101
6-chloro-N-(1-ethylpiperidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 106193705
6-chloro-N-(1-ethylpiperidin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106193711
4-chloro-2-[(1-ethylpiperidin-4-yl)amino]benzonitrile
CID 43681516
4-[[2-chloro-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-4-pyridinyl]oxy]-3,5-dimethylbenzonitrile
CID 134139054
3-bromo-5-[(1-ethylpiperidin-4-yl)amino]benzonitrile
CID 102822285
2-chloro-6-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carbonitrile
CID 83077253
2-chloro-6-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-4-carbonitrile
CID 83074714
4-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile
CID 62924829
5-[(1-ethylpiperidin-4-yl)amino]-2-fluorobenzonitrile
CID 62315553
2-chloro-6-[(2-methyloxolan-3-yl)amino]pyridine-4-carbonitrile
CID 83076352
4-acetyl-3-[(1-ethylpiperidin-4-yl)amino]benzonitrile
CID 133466162

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(1-ethylpiperidin-4-yl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[(1-ethylpiperidin-4-yl)amino]pyridine-4-carbonitrile (CID 106193671) is 2-chloro-6-[(1-ethylpiperidin-4-yl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[(1-ethylpiperidin-4-yl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[(1-ethylpiperidin-4-yl)amino]pyridine-4-carbonitrile is CCN1CCC(Nc2cc(C#N)cc(Cl)n2)CC1.
What is the InChIKey of 2-chloro-6-[(1-ethylpiperidin-4-yl)amino]pyridine-4-carbonitrile?
The InChIKey is YFNCTDIELUKRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-2-18-5-3-11(4-6-18)16-13-8-10(9-15)7-12(14)17-13/h7-8,11H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-chloro-6-[(1-ethylpiperidin-4-yl)amino]pyridine-4-carbonitrile?
2-chloro-6-[(1-ethylpiperidin-4-yl)amino]pyridine-4-carbonitrile has a molecular weight of 264.76 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(1-ethylpiperidin-4-yl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 106193671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).