2-ethyl-N-(pyridin-2-ylmethyl)butanamide

C12H18N2O — CID 5055685

IUPAC2-ethyl-N-(pyridin-2-ylmethyl)butanamide
SMILESCCC(CC)C(=O)NCc1ccccn1
InChIInChI=1S/C12H18N2O/c1-3-10(4-2)12(15)14-9-11-7-5-6-8-13-11/h5-8,10H,3-4,9H2,1-2H3,(H,14,15)
InChIKeyHFEFGZMCSYSPQD-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.13
Rot. Bonds5

About 2-ethyl-N-(pyridin-2-ylmethyl)butanamide

2-ethyl-N-(pyridin-2-ylmethyl)butanamide (PubChem CID 5055685) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-ethyl-N-(pyridin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(pyridin-2-ylmethyl)butanamide
PubChem CID5055685
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-ethyl-N-(pyridin-2-ylmethyl)butanamide
SMILESCCC(CC)C(=O)NCc1ccccn1
InChIInChI=1S/C12H18N2O/c1-3-10(4-2)12(15)14-9-11-7-5-6-8-13-11/h5-8,10H,3-4,9H2,1-2H3,(H,14,15)
InChIKeyHFEFGZMCSYSPQD-UHFFFAOYSA-N
XLogP2.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-oxo-1-(pyridin-2-ylmethylamino)butane-2-sulfonic acid
CID 142553634
2-(methylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 62637273
2-phenyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 110410528
2-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 25252608
2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide
CID 47126081
(2S)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 28771750
(2R)-2-acetamido-3-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 35511470
2-ethyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]butanamide
CID 113012657
pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402
2-amino-N-(pyridin-2-ylmethyl)butanediamide
CID 60847401
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]propanamide
CID 47412168

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(pyridin-2-ylmethyl)butanamide?
The IUPAC name of 2-ethyl-N-(pyridin-2-ylmethyl)butanamide (CID 5055685) is 2-ethyl-N-(pyridin-2-ylmethyl)butanamide.
What is the SMILES notation for 2-ethyl-N-(pyridin-2-ylmethyl)butanamide?
The canonical SMILES for 2-ethyl-N-(pyridin-2-ylmethyl)butanamide is CCC(CC)C(=O)NCc1ccccn1.
What is the InChIKey of 2-ethyl-N-(pyridin-2-ylmethyl)butanamide?
The InChIKey is HFEFGZMCSYSPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-10(4-2)12(15)14-9-11-7-5-6-8-13-11/h5-8,10H,3-4,9H2,1-2H3,(H,14,15).
What are the key properties of 2-ethyl-N-(pyridin-2-ylmethyl)butanamide?
2-ethyl-N-(pyridin-2-ylmethyl)butanamide has a molecular weight of 206.29 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(pyridin-2-ylmethyl)butanamide is sourced from PubChem (CID 5055685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).