1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile

C18H18N4O2 — CID 139051000

IUPAC1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(OCCn2c(C)cc(C)c(C#N)c2=O)n1
InChIInChI=1S/C18H18N4O2/c1-11-7-13(3)21-17(15(11)9-19)24-6-5-22-14(4)8-12(2)16(10-20)18(22)23/h7-8H,5-6H2,1-4H3
InChIKeyBRWCIMAXAWUKMG-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.30
Rot. Bonds4

About 1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile

1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 139051000) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID139051000
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(OCCn2c(C)cc(C)c(C#N)c2=O)n1
InChIInChI=1S/C18H18N4O2/c1-11-7-13(3)21-17(15(11)9-19)24-6-5-22-14(4)8-12(2)16(10-20)18(22)23/h7-8H,5-6H2,1-4H3
InChIKeyBRWCIMAXAWUKMG-UHFFFAOYSA-N
XLogP2.30
TPSA91.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile with MolForge

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Related Compounds

1-[4-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]butyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 172640949
1-[2-(4-methoxyphenoxy)ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 82124655
4,6-dimethyl-2-[2-(methylamino)ethoxy]pyridine-3-carbonitrile
CID 62349314
2-[3-(dimethylamino)propoxy]-4,6-dimethylpyridine-3-carbonitrile
CID 61177452
1-(3-hydroxypropyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 3148839
4,6-dimethyl-2-oxo-1-(3-oxobutyl)pyridine-3-carbonitrile
CID 84614931
3-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)propanamide
CID 84614937
2-[2-[di(propan-2-yl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile
CID 115505507
4-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)butanoic acid
CID 84616792
2-[2-[cyclopropyl(methyl)amino]ethoxy]-4,6-dimethylpyridine-3-carbonitrile
CID 102740058
2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carbonitrile
CID 61177256
4,6-dimethyl-2-(2-methylbutan-2-yloxy)pyridine-3-carbonitrile
CID 61177837

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (CID 139051000) is 1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(OCCn2c(C)cc(C)c(C#N)c2=O)n1.
What is the InChIKey of 1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is BRWCIMAXAWUKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11-7-13(3)21-17(15(11)9-19)24-6-5-22-14(4)8-12(2)16(10-20)18(22)23/h7-8H,5-6H2,1-4H3.
What are the key properties of 1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 322.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 139051000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).