5-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbonitrile

C13H20N4 — CID 79839031

IUPAC5-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbonitrile
SMILESCCN(CC)CC(C)Nc1ccc(C#N)nc1
InChIInChI=1S/C13H20N4/c1-4-17(5-2)10-11(3)16-13-7-6-12(8-14)15-9-13/h6-7,9,11,16H,4-5,10H2,1-3H3
InChIKeyGXXZLIUEYSUSEN-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.10
Rot. Bonds6

About 5-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbonitrile

5-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbonitrile (PubChem CID 79839031) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbonitrile
PubChem CID79839031
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name5-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbonitrile
SMILESCCN(CC)CC(C)Nc1ccc(C#N)nc1
InChIInChI=1S/C13H20N4/c1-4-17(5-2)10-11(3)16-13-7-6-12(8-14)15-9-13/h6-7,9,11,16H,4-5,10H2,1-3H3
InChIKeyGXXZLIUEYSUSEN-UHFFFAOYSA-N
XLogP2.10
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(butan-2-ylamino)pyridine-2-carbonitrile
CID 79839653
5-(heptan-2-ylamino)pyridine-2-carbonitrile
CID 115487559
5-(1-imidazol-1-ylpropan-2-ylamino)pyridine-2-carbonitrile
CID 113320580
3-[(6-cyano-3-pyridinyl)amino]butanamide
CID 115685029
4-[(6-cyano-3-pyridinyl)amino]pentanoic acid
CID 115487300
5-(hept-6-en-2-ylamino)pyridine-2-carbonitrile
CID 133436130
5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile
CID 102609041
5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carbonitrile
CID 79839810
5-(2-methylbutan-2-ylamino)pyridine-2-carbonitrile
CID 115487385
5-[2-(ethylamino)ethylamino]pyridine-2-carbonitrile
CID 115490362
5-(1-methoxybutan-2-ylamino)pyridine-2-carbonitrile
CID 115487722
5-[(2-hydroxy-4-methylpentyl)amino]pyridine-2-carbonitrile
CID 103736448

Frequently Asked Questions

What is the IUPAC name of 5-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbonitrile (CID 79839031) is 5-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbonitrile is CCN(CC)CC(C)Nc1ccc(C#N)nc1.
What is the InChIKey of 5-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbonitrile?
The InChIKey is GXXZLIUEYSUSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-4-17(5-2)10-11(3)16-13-7-6-12(8-14)15-9-13/h6-7,9,11,16H,4-5,10H2,1-3H3.
What are the key properties of 5-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbonitrile?
5-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbonitrile has a molecular weight of 232.33 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 79839031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).