N-[2-(2-cyanoethyl)-4-pyridinyl]-2-methoxyacetamide

C11H13N3O2 — CID 167435126

IUPACN-[2-(2-cyanoethyl)-4-pyridinyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccnc(CCC#N)c1
InChIInChI=1S/C11H13N3O2/c1-16-8-11(15)14-10-4-6-13-9(7-10)3-2-5-12/h4,6-7H,2-3,8H2,1H3,(H,13,14,15)
InChIKeyZWWNNYGKSNAZPJ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.12
Rot. Bonds5

About N-[2-(2-cyanoethyl)-4-pyridinyl]-2-methoxyacetamide

N-[2-(2-cyanoethyl)-4-pyridinyl]-2-methoxyacetamide (PubChem CID 167435126) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-[2-(2-cyanoethyl)-4-pyridinyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-(2-cyanoethyl)-4-pyridinyl]-2-methoxyacetamide
PubChem CID167435126
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-[2-(2-cyanoethyl)-4-pyridinyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccnc(CCC#N)c1
InChIInChI=1S/C11H13N3O2/c1-16-8-11(15)14-10-4-6-13-9(7-10)3-2-5-12/h4,6-7H,2-3,8H2,1H3,(H,13,14,15)
InChIKeyZWWNNYGKSNAZPJ-UHFFFAOYSA-N
XLogP1.12
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(2-methoxy-4-pyridinyl)acetamide
CID 130524601
2-cyano-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]acetamide
CID 168522703
2-methoxy-N-(4-methyl-2-pyridinyl)acetamide
CID 23657944
2-methoxy-N-pyrimidin-4-ylacetamide
CID 110460486
2-methoxy-N-[3-[(pyridin-2-ylmethylamino)methyl]phenyl]acetamide
CID 47025423
2-methoxy-N-[3-(pyrimidin-4-ylmethylamino)phenyl]acetamide
CID 62748713
N-[4-(hydroxymethyl)-2-pyridinyl]-2-methoxyacetamide
CID 82343554
N-(2-cyanoethyl)-2-methoxyacetamide
CID 60668880
ethane;2-methoxy-N-phenylacetamide;yttrium
CID 159976159
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
2-[2-[(2-methyl-4-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 79235104
N-(3-imidazol-1-ylphenyl)-2-methoxyacetamide
CID 47215494

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyanoethyl)-4-pyridinyl]-2-methoxyacetamide?
The IUPAC name of N-[2-(2-cyanoethyl)-4-pyridinyl]-2-methoxyacetamide (CID 167435126) is N-[2-(2-cyanoethyl)-4-pyridinyl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-(2-cyanoethyl)-4-pyridinyl]-2-methoxyacetamide?
The canonical SMILES for N-[2-(2-cyanoethyl)-4-pyridinyl]-2-methoxyacetamide is COCC(=O)Nc1ccnc(CCC#N)c1.
What is the InChIKey of N-[2-(2-cyanoethyl)-4-pyridinyl]-2-methoxyacetamide?
The InChIKey is ZWWNNYGKSNAZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-16-8-11(15)14-10-4-6-13-9(7-10)3-2-5-12/h4,6-7H,2-3,8H2,1H3,(H,13,14,15).
What are the key properties of N-[2-(2-cyanoethyl)-4-pyridinyl]-2-methoxyacetamide?
N-[2-(2-cyanoethyl)-4-pyridinyl]-2-methoxyacetamide has a molecular weight of 219.24 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyanoethyl)-4-pyridinyl]-2-methoxyacetamide is sourced from PubChem (CID 167435126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).