6-[[(E)-3-methoxyprop-1-enyl]amino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile

C15H22N4O2 — CID 163940505

IUPAC6-[[(E)-3-methoxyprop-1-enyl]amino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile
SMILESCOC/C=C/Nc1cc(C)c(C#N)c(NCCCOC)n1
InChIInChI=1S/C15H22N4O2/c1-12-10-14(17-6-4-8-20-2)19-15(13(12)11-16)18-7-5-9-21-3/h4,6,10H,5,7-9H2,1-3H3,(H2,17,18,19)/b6-4+
InChIKeyRQOYAPAKFWVHQN-GQCTYLIASA-N
MW290.37 g/mol
LogP2.28
Rot. Bonds9

About 6-[[(E)-3-methoxyprop-1-enyl]amino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile

6-[[(E)-3-methoxyprop-1-enyl]amino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile (PubChem CID 163940505) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-[[(E)-3-methoxyprop-1-enyl]amino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(E)-3-methoxyprop-1-enyl]amino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile
PubChem CID163940505
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name6-[[(E)-3-methoxyprop-1-enyl]amino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile
SMILESCOC/C=C/Nc1cc(C)c(C#N)c(NCCCOC)n1
InChIInChI=1S/C15H22N4O2/c1-12-10-14(17-6-4-8-20-2)19-15(13(12)11-16)18-7-5-9-21-3/h4,6,10H,5,7-9H2,1-3H3,(H2,17,18,19)/b6-4+
InChIKeyRQOYAPAKFWVHQN-GQCTYLIASA-N
XLogP2.28
TPSA79.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 6-[[(E)-3-methoxyprop-1-enyl]amino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile?
The IUPAC name of 6-[[(E)-3-methoxyprop-1-enyl]amino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile (CID 163940505) is 6-[[(E)-3-methoxyprop-1-enyl]amino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(E)-3-methoxyprop-1-enyl]amino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-[[(E)-3-methoxyprop-1-enyl]amino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile is COC/C=C/Nc1cc(C)c(C#N)c(NCCCOC)n1.
What is the InChIKey of 6-[[(E)-3-methoxyprop-1-enyl]amino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile?
The InChIKey is RQOYAPAKFWVHQN-GQCTYLIASA-N. The full InChI is InChI=1S/C15H22N4O2/c1-12-10-14(17-6-4-8-20-2)19-15(13(12)11-16)18-7-5-9-21-3/h4,6,10H,5,7-9H2,1-3H3,(H2,17,18,19)/b6-4+.
What are the key properties of 6-[[(E)-3-methoxyprop-1-enyl]amino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile?
6-[[(E)-3-methoxyprop-1-enyl]amino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile has a molecular weight of 290.37 g/mol, XLogP of 2.28, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(E)-3-methoxyprop-1-enyl]amino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 163940505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).