4,6-dimethyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile

C14H13N3OS — CID 5397001

IUPAC4,6-dimethyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(/C=N\n2c(C)cc(C)c(C#N)c2=O)s1
InChIInChI=1S/C14H13N3OS/c1-9-6-10(2)17(14(18)13(9)7-15)16-8-12-5-4-11(3)19-12/h4-6,8H,1-3H3/b16-8-
InChIKeyRGMUKOOFFHQVAR-PXNMLYILSA-N
MW271.35 g/mol
LogP2.59
Rot. Bonds2

About 4,6-dimethyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile

4,6-dimethyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile (PubChem CID 5397001) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 4,6-dimethyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile
PubChem CID5397001
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name4,6-dimethyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(/C=N\n2c(C)cc(C)c(C#N)c2=O)s1
InChIInChI=1S/C14H13N3OS/c1-9-6-10(2)17(14(18)13(9)7-15)16-8-12-5-4-11(3)19-12/h4-6,8H,1-3H3/b16-8-
InChIKeyRGMUKOOFFHQVAR-PXNMLYILSA-N
XLogP2.59
TPSA58.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile (CID 5397001) is 4,6-dimethyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile is Cc1ccc(/C=N\n2c(C)cc(C)c(C#N)c2=O)s1.
What is the InChIKey of 4,6-dimethyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile?
The InChIKey is RGMUKOOFFHQVAR-PXNMLYILSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-6-10(2)17(14(18)13(9)7-15)16-8-12-5-4-11(3)19-12/h4-6,8H,1-3H3/b16-8-.
What are the key properties of 4,6-dimethyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile?
4,6-dimethyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile has a molecular weight of 271.35 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 5397001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).