N-(5-cyano-4-methyl-2-propan-2-yl-3-pyridinyl)acetamide

C12H15N3O — CID 156733985

IUPACN-(5-cyano-4-methyl-2-propan-2-yl-3-pyridinyl)acetamide
SMILESCC(=O)Nc1c(C(C)C)ncc(C#N)c1C
InChIInChI=1S/C12H15N3O/c1-7(2)11-12(15-9(4)16)8(3)10(5-13)6-14-11/h6-7H,1-4H3,(H,15,16)
InChIKeyNXDHSFJTGGEDSH-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.34
Rot. Bonds2

About N-(5-cyano-4-methyl-2-propan-2-yl-3-pyridinyl)acetamide

N-(5-cyano-4-methyl-2-propan-2-yl-3-pyridinyl)acetamide (PubChem CID 156733985) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(5-cyano-4-methyl-2-propan-2-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(5-cyano-4-methyl-2-propan-2-yl-3-pyridinyl)acetamide
PubChem CID156733985
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-(5-cyano-4-methyl-2-propan-2-yl-3-pyridinyl)acetamide
SMILESCC(=O)Nc1c(C(C)C)ncc(C#N)c1C
InChIInChI=1S/C12H15N3O/c1-7(2)11-12(15-9(4)16)8(3)10(5-13)6-14-11/h6-7H,1-4H3,(H,15,16)
InChIKeyNXDHSFJTGGEDSH-UHFFFAOYSA-N
XLogP2.34
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-4-methyl-2-propan-2-yl-3-pyridinyl)acetamide?
The IUPAC name of N-(5-cyano-4-methyl-2-propan-2-yl-3-pyridinyl)acetamide (CID 156733985) is N-(5-cyano-4-methyl-2-propan-2-yl-3-pyridinyl)acetamide.
What is the SMILES notation for N-(5-cyano-4-methyl-2-propan-2-yl-3-pyridinyl)acetamide?
The canonical SMILES for N-(5-cyano-4-methyl-2-propan-2-yl-3-pyridinyl)acetamide is CC(=O)Nc1c(C(C)C)ncc(C#N)c1C.
What is the InChIKey of N-(5-cyano-4-methyl-2-propan-2-yl-3-pyridinyl)acetamide?
The InChIKey is NXDHSFJTGGEDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-7(2)11-12(15-9(4)16)8(3)10(5-13)6-14-11/h6-7H,1-4H3,(H,15,16).
What are the key properties of N-(5-cyano-4-methyl-2-propan-2-yl-3-pyridinyl)acetamide?
N-(5-cyano-4-methyl-2-propan-2-yl-3-pyridinyl)acetamide has a molecular weight of 217.27 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-4-methyl-2-propan-2-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 156733985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).