3-cyano-N-(2-methoxyethyl)-3-pyridin-4-ylpropanamide

C12H15N3O2 — CID 112515463

IUPAC3-cyano-N-(2-methoxyethyl)-3-pyridin-4-ylpropanamide
SMILESCOCCNC(=O)CC(C#N)c1ccncc1
InChIInChI=1S/C12H15N3O2/c1-17-7-6-15-12(16)8-11(9-13)10-2-4-14-5-3-10/h2-5,11H,6-8H2,1H3,(H,15,16)
InChIKeyVEAMIHHKGNGBSB-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.84
Rot. Bonds6

About 3-cyano-N-(2-methoxyethyl)-3-pyridin-4-ylpropanamide

3-cyano-N-(2-methoxyethyl)-3-pyridin-4-ylpropanamide (PubChem CID 112515463) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-cyano-N-(2-methoxyethyl)-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name3-cyano-N-(2-methoxyethyl)-3-pyridin-4-ylpropanamide
PubChem CID112515463
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-cyano-N-(2-methoxyethyl)-3-pyridin-4-ylpropanamide
SMILESCOCCNC(=O)CC(C#N)c1ccncc1
InChIInChI=1S/C12H15N3O2/c1-17-7-6-15-12(16)8-11(9-13)10-2-4-14-5-3-10/h2-5,11H,6-8H2,1H3,(H,15,16)
InChIKeyVEAMIHHKGNGBSB-UHFFFAOYSA-N
XLogP0.84
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-cyano-3-pyridin-4-ylpropanoic acid
CID 94827088
N-(2-methoxyethyl)-3,3-diphenylpropanamide
CID 2263132
3-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 115905492
N-[2-(2-methoxyethylamino)ethyl]-2-pyridin-4-ylacetamide
CID 83039476
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 43299918
N-(2-methoxyethyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7658202
N-(2-methoxyethyl)-N'-(pyridin-4-ylmethyl)oxamide
CID 5077077
N-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)pentanamide
CID 110355408
N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049
N-(2-methoxyethyl)-2-(pyridin-4-ylmethylamino)propanamide
CID 43086931
(Z)-2-cyano-N-(2-methoxyethyl)-3-(pyridin-4-ylmethylamino)prop-2-enamide
CID 108833309
ethyl N-[(1R)-3-(2-methoxyethylamino)-3-oxo-1-phenylpropyl]carbamate
CID 126007455

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-methoxyethyl)-3-pyridin-4-ylpropanamide?
The IUPAC name of 3-cyano-N-(2-methoxyethyl)-3-pyridin-4-ylpropanamide (CID 112515463) is 3-cyano-N-(2-methoxyethyl)-3-pyridin-4-ylpropanamide.
What is the SMILES notation for 3-cyano-N-(2-methoxyethyl)-3-pyridin-4-ylpropanamide?
The canonical SMILES for 3-cyano-N-(2-methoxyethyl)-3-pyridin-4-ylpropanamide is COCCNC(=O)CC(C#N)c1ccncc1.
What is the InChIKey of 3-cyano-N-(2-methoxyethyl)-3-pyridin-4-ylpropanamide?
The InChIKey is VEAMIHHKGNGBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-17-7-6-15-12(16)8-11(9-13)10-2-4-14-5-3-10/h2-5,11H,6-8H2,1H3,(H,15,16).
What are the key properties of 3-cyano-N-(2-methoxyethyl)-3-pyridin-4-ylpropanamide?
3-cyano-N-(2-methoxyethyl)-3-pyridin-4-ylpropanamide has a molecular weight of 233.27 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-methoxyethyl)-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 112515463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).