2-[3-(diethylamino)propylamino]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

C16H26N4O — CID 5295326

IUPAC2-[3-(diethylamino)propylamino]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
SMILESCCN(CC)CCCNc1nc(C)cc(COC)c1C#N
InChIInChI=1S/C16H26N4O/c1-5-20(6-2)9-7-8-18-16-15(11-17)14(12-21-4)10-13(3)19-16/h10H,5-9,12H2,1-4H3,(H,18,19)
InChIKeyUZEWKCCRRLSPDD-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.55
Rot. Bonds9

About 2-[3-(diethylamino)propylamino]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

2-[3-(diethylamino)propylamino]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile (PubChem CID 5295326) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[3-(diethylamino)propylamino]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-(diethylamino)propylamino]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
PubChem CID5295326
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[3-(diethylamino)propylamino]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
SMILESCCN(CC)CCCNc1nc(C)cc(COC)c1C#N
InChIInChI=1S/C16H26N4O/c1-5-20(6-2)9-7-8-18-16-15(11-17)14(12-21-4)10-13(3)19-16/h10H,5-9,12H2,1-4H3,(H,18,19)
InChIKeyUZEWKCCRRLSPDD-UHFFFAOYSA-N
XLogP2.55
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propylamino]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[3-(diethylamino)propylamino]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile (CID 5295326) is 2-[3-(diethylamino)propylamino]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-(diethylamino)propylamino]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[3-(diethylamino)propylamino]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile is CCN(CC)CCCNc1nc(C)cc(COC)c1C#N.
What is the InChIKey of 2-[3-(diethylamino)propylamino]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The InChIKey is UZEWKCCRRLSPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-5-20(6-2)9-7-8-18-16-15(11-17)14(12-21-4)10-13(3)19-16/h10H,5-9,12H2,1-4H3,(H,18,19).
What are the key properties of 2-[3-(diethylamino)propylamino]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
2-[3-(diethylamino)propylamino]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile has a molecular weight of 290.41 g/mol, XLogP of 2.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)propylamino]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 5295326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).