2-cyano-N-[(3-ethyl-2-pyridinyl)methyl]propanamide

C12H15N3O — CID 82737778

IUPAC2-cyano-N-[(3-ethyl-2-pyridinyl)methyl]propanamide
SMILESCCc1cccnc1CNC(=O)C(C)C#N
InChIInChI=1S/C12H15N3O/c1-3-10-5-4-6-14-11(10)8-15-12(16)9(2)7-13/h4-6,9H,3,8H2,1-2H3,(H,15,16)
InChIKeyZDMZSECRSKLGIJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.42
Rot. Bonds4

About 2-cyano-N-[(3-ethyl-2-pyridinyl)methyl]propanamide

2-cyano-N-[(3-ethyl-2-pyridinyl)methyl]propanamide (PubChem CID 82737778) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-cyano-N-[(3-ethyl-2-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name2-cyano-N-[(3-ethyl-2-pyridinyl)methyl]propanamide
PubChem CID82737778
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-cyano-N-[(3-ethyl-2-pyridinyl)methyl]propanamide
SMILESCCc1cccnc1CNC(=O)C(C)C#N
InChIInChI=1S/C12H15N3O/c1-3-10-5-4-6-14-11(10)8-15-12(16)9(2)7-13/h4-6,9H,3,8H2,1-2H3,(H,15,16)
InChIKeyZDMZSECRSKLGIJ-UHFFFAOYSA-N
XLogP1.42
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(3-ethyl-2-pyridinyl)methyl]butanamide
CID 82738689
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 104742770
2-(butan-2-ylamino)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82738513
2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-3-methoxypropanamide
CID 82738332
(2S)-2-[(3-ethyl-2-pyridinyl)methylcarbamoylamino]-3-methylbutanoic acid
CID 82749098
2-hydroxyethyl N-[(3-ethyl-2-pyridinyl)methyl]carbamate
CID 82744779
1-cyclopropyl-3-[(3-ethyl-2-pyridinyl)methyl]urea
CID 116657152
N-(ethylcarbamoyl)-2-[(3-ethyl-2-pyridinyl)methylamino]propanamide
CID 82738463
N-[(3-ethyl-2-pyridinyl)methyl]-4-(methylamino)benzamide
CID 82743343
4-[(3-ethyl-2-pyridinyl)methylcarbamoylamino]-2-hydroxybutanoic acid
CID 107840748
6-amino-3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 82744378
N-[(3-ethyl-2-pyridinyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 82744064

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(3-ethyl-2-pyridinyl)methyl]propanamide?
The IUPAC name of 2-cyano-N-[(3-ethyl-2-pyridinyl)methyl]propanamide (CID 82737778) is 2-cyano-N-[(3-ethyl-2-pyridinyl)methyl]propanamide.
What is the SMILES notation for 2-cyano-N-[(3-ethyl-2-pyridinyl)methyl]propanamide?
The canonical SMILES for 2-cyano-N-[(3-ethyl-2-pyridinyl)methyl]propanamide is CCc1cccnc1CNC(=O)C(C)C#N.
What is the InChIKey of 2-cyano-N-[(3-ethyl-2-pyridinyl)methyl]propanamide?
The InChIKey is ZDMZSECRSKLGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-10-5-4-6-14-11(10)8-15-12(16)9(2)7-13/h4-6,9H,3,8H2,1-2H3,(H,15,16).
What are the key properties of 2-cyano-N-[(3-ethyl-2-pyridinyl)methyl]propanamide?
2-cyano-N-[(3-ethyl-2-pyridinyl)methyl]propanamide has a molecular weight of 217.27 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(3-ethyl-2-pyridinyl)methyl]propanamide is sourced from PubChem (CID 82737778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).