4-[2-cyanopropyl(ethyl)amino]-2,6-dimethylpyridine-3-carbonitrile

C14H18N4 — CID 81060184

IUPAC4-[2-cyanopropyl(ethyl)amino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCCN(CC(C)C#N)c1cc(C)nc(C)c1C#N
InChIInChI=1S/C14H18N4/c1-5-18(9-10(2)7-15)14-6-11(3)17-12(4)13(14)8-16/h6,10H,5,9H2,1-4H3
InChIKeyDLYQDUQWYRNQGL-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.56
Rot. Bonds4

About 4-[2-cyanopropyl(ethyl)amino]-2,6-dimethylpyridine-3-carbonitrile

4-[2-cyanopropyl(ethyl)amino]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81060184) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-[2-cyanopropyl(ethyl)amino]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-cyanopropyl(ethyl)amino]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81060184
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-[2-cyanopropyl(ethyl)amino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCCN(CC(C)C#N)c1cc(C)nc(C)c1C#N
InChIInChI=1S/C14H18N4/c1-5-18(9-10(2)7-15)14-6-11(3)17-12(4)13(14)8-16/h6,10H,5,9H2,1-4H3
InChIKeyDLYQDUQWYRNQGL-UHFFFAOYSA-N
XLogP2.56
TPSA63.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-cyanopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060272
4-[ethyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060716
5-[2-cyanopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63758874
4-[1-(diethylamino)propan-2-ylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060744
2,6-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile
CID 81061241
2-bromo-6-[2-cyanopropyl(ethyl)amino]benzonitrile
CID 114880375
4-[(3-amino-2,2-dimethylpropyl)-propylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81051803
3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanenitrile
CID 83065176
4-(N-ethyl-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060103
4-[3-aminopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 115319467
4-[(3-cyano-2,6-dimethyl-4-pyridinyl)-ethylamino]oxolane-3-carboxylic acid
CID 81060905
2-[(3-cyano-2,6-dimethyl-4-pyridinyl)-prop-2-enylamino]acetic acid
CID 81060333

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyanopropyl(ethyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[2-cyanopropyl(ethyl)amino]-2,6-dimethylpyridine-3-carbonitrile (CID 81060184) is 4-[2-cyanopropyl(ethyl)amino]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[2-cyanopropyl(ethyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[2-cyanopropyl(ethyl)amino]-2,6-dimethylpyridine-3-carbonitrile is CCN(CC(C)C#N)c1cc(C)nc(C)c1C#N.
What is the InChIKey of 4-[2-cyanopropyl(ethyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is DLYQDUQWYRNQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-5-18(9-10(2)7-15)14-6-11(3)17-12(4)13(14)8-16/h6,10H,5,9H2,1-4H3.
What are the key properties of 4-[2-cyanopropyl(ethyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
4-[2-cyanopropyl(ethyl)amino]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 242.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyanopropyl(ethyl)amino]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81060184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).