2-[3-(diethylamino)propyl-ethylamino]pyridine-4-carbonitrile

C15H24N4 — CID 102993231

IUPAC2-[3-(diethylamino)propyl-ethylamino]pyridine-4-carbonitrile
SMILESCCN(CC)CCCN(CC)c1cc(C#N)ccn1
InChIInChI=1S/C15H24N4/c1-4-18(5-2)10-7-11-19(6-3)15-12-14(13-16)8-9-17-15/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyHUCHYQATWYDTOI-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.51
Rot. Bonds8

About 2-[3-(diethylamino)propyl-ethylamino]pyridine-4-carbonitrile

2-[3-(diethylamino)propyl-ethylamino]pyridine-4-carbonitrile (PubChem CID 102993231) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[3-(diethylamino)propyl-ethylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[3-(diethylamino)propyl-ethylamino]pyridine-4-carbonitrile
PubChem CID102993231
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name2-[3-(diethylamino)propyl-ethylamino]pyridine-4-carbonitrile
SMILESCCN(CC)CCCN(CC)c1cc(C#N)ccn1
InChIInChI=1S/C15H24N4/c1-4-18(5-2)10-7-11-19(6-3)15-12-14(13-16)8-9-17-15/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyHUCHYQATWYDTOI-UHFFFAOYSA-N
XLogP2.51
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butyl(ethyl)amino]pyridine-4-carbonitrile
CID 24696203
2-(dipropylamino)pyridine-4-carbonitrile
CID 14640854
[2-[3-(diethylamino)propyl-ethylamino]-4-pyridinyl]methanol
CID 102996028
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 79390747
1-[2-[3-(diethylamino)propyl-ethylamino]-4-pyridinyl]ethanol
CID 102994915
2-[(2-aminophenyl)methyl-ethylamino]pyridine-4-carbonitrile
CID 60876115
N-butyl-N-(4-cyano-2-pyridinyl)formamide
CID 144779744
2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 61435511
2-[butan-2-yl(butyl)amino]pyridine-4-carbonitrile
CID 55004808
2-[butan-2-yl(methyl)amino]pyridine-4-carbonitrile
CID 43273063
2-[(2-aminophenyl)methyl-propylamino]pyridine-4-carbonitrile
CID 60877236
2-[butyl(cyclopropyl)amino]pyridine-4-carbonitrile
CID 61442767

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propyl-ethylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-[3-(diethylamino)propyl-ethylamino]pyridine-4-carbonitrile (CID 102993231) is 2-[3-(diethylamino)propyl-ethylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[3-(diethylamino)propyl-ethylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[3-(diethylamino)propyl-ethylamino]pyridine-4-carbonitrile is CCN(CC)CCCN(CC)c1cc(C#N)ccn1.
What is the InChIKey of 2-[3-(diethylamino)propyl-ethylamino]pyridine-4-carbonitrile?
The InChIKey is HUCHYQATWYDTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-4-18(5-2)10-7-11-19(6-3)15-12-14(13-16)8-9-17-15/h8-9,12H,4-7,10-11H2,1-3H3.
What are the key properties of 2-[3-(diethylamino)propyl-ethylamino]pyridine-4-carbonitrile?
2-[3-(diethylamino)propyl-ethylamino]pyridine-4-carbonitrile has a molecular weight of 260.38 g/mol, XLogP of 2.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)propyl-ethylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 102993231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).