N-(2-cyano-4,5-dimethyl-1H-pyridin-4-yl)acetamide

C10H13N3O — CID 19926091

IUPACN-(2-cyano-4,5-dimethyl-1H-pyridin-4-yl)acetamide
SMILESCC(=O)NC1(C)C=C(C#N)NC=C1C
InChIInChI=1S/C10H13N3O/c1-7-6-12-9(5-11)4-10(7,3)13-8(2)14/h4,6,12H,1-3H3,(H,13,14)
InChIKeySYDYQQOBQRHOIK-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.80
Rot. Bonds1

About N-(2-cyano-4,5-dimethyl-1H-pyridin-4-yl)acetamide

N-(2-cyano-4,5-dimethyl-1H-pyridin-4-yl)acetamide (PubChem CID 19926091) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N-(2-cyano-4,5-dimethyl-1H-pyridin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyano-4,5-dimethyl-1H-pyridin-4-yl)acetamide
PubChem CID19926091
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN-(2-cyano-4,5-dimethyl-1H-pyridin-4-yl)acetamide
SMILESCC(=O)NC1(C)C=C(C#N)NC=C1C
InChIInChI=1S/C10H13N3O/c1-7-6-12-9(5-11)4-10(7,3)13-8(2)14/h4,6,12H,1-3H3,(H,13,14)
InChIKeySYDYQQOBQRHOIK-UHFFFAOYSA-N
XLogP0.80
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4,5-dimethyl-1H-pyridin-4-yl)acetamide?
The IUPAC name of N-(2-cyano-4,5-dimethyl-1H-pyridin-4-yl)acetamide (CID 19926091) is N-(2-cyano-4,5-dimethyl-1H-pyridin-4-yl)acetamide.
What is the SMILES notation for N-(2-cyano-4,5-dimethyl-1H-pyridin-4-yl)acetamide?
The canonical SMILES for N-(2-cyano-4,5-dimethyl-1H-pyridin-4-yl)acetamide is CC(=O)NC1(C)C=C(C#N)NC=C1C.
What is the InChIKey of N-(2-cyano-4,5-dimethyl-1H-pyridin-4-yl)acetamide?
The InChIKey is SYDYQQOBQRHOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7-6-12-9(5-11)4-10(7,3)13-8(2)14/h4,6,12H,1-3H3,(H,13,14).
What are the key properties of N-(2-cyano-4,5-dimethyl-1H-pyridin-4-yl)acetamide?
N-(2-cyano-4,5-dimethyl-1H-pyridin-4-yl)acetamide has a molecular weight of 191.23 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4,5-dimethyl-1H-pyridin-4-yl)acetamide is sourced from PubChem (CID 19926091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).