1-(cyanomethyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide

C10H11N3O2 — CID 23048997

IUPAC1-(cyanomethyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(=O)n(CC#N)c1
InChIInChI=1S/C10H11N3O2/c1-12(2)10(15)8-3-4-9(14)13(7-8)6-5-11/h3-4,7H,6H2,1-2H3
InChIKeyNQLBDQHTNDFVJH-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.07
Rot. Bonds2

About 1-(cyanomethyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide

1-(cyanomethyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide (PubChem CID 23048997) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-(cyanomethyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(cyanomethyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide
PubChem CID23048997
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name1-(cyanomethyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(=O)n(CC#N)c1
InChIInChI=1S/C10H11N3O2/c1-12(2)10(15)8-3-4-9(14)13(7-8)6-5-11/h3-4,7H,6H2,1-2H3
InChIKeyNQLBDQHTNDFVJH-UHFFFAOYSA-N
XLogP0.07
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyanomethyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-(cyanomethyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide (CID 23048997) is 1-(cyanomethyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(cyanomethyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(cyanomethyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide is CN(C)C(=O)c1ccc(=O)n(CC#N)c1.
What is the InChIKey of 1-(cyanomethyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide?
The InChIKey is NQLBDQHTNDFVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-12(2)10(15)8-3-4-9(14)13(7-8)6-5-11/h3-4,7H,6H2,1-2H3.
What are the key properties of 1-(cyanomethyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide?
1-(cyanomethyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide has a molecular weight of 205.22 g/mol, XLogP of 0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyanomethyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 23048997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).