2-(butan-2-ylamino)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide

C14H23N3O — CID 82738513

IUPAC2-(butan-2-ylamino)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
SMILESCCc1cccnc1CNC(=O)CNC(C)CC
InChIInChI=1S/C14H23N3O/c1-4-11(3)16-10-14(18)17-9-13-12(5-2)7-6-8-15-13/h6-8,11,16H,4-5,9-10H2,1-3H3,(H,17,18)
InChIKeyZORYRYIGHNHDFE-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.65
Rot. Bonds7

About 2-(butan-2-ylamino)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide

2-(butan-2-ylamino)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide (PubChem CID 82738513) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
PubChem CID82738513
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-(butan-2-ylamino)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
SMILESCCc1cccnc1CNC(=O)CNC(C)CC
InChIInChI=1S/C14H23N3O/c1-4-11(3)16-10-14(18)17-9-13-12(5-2)7-6-8-15-13/h6-8,11,16H,4-5,9-10H2,1-3H3,(H,17,18)
InChIKeyZORYRYIGHNHDFE-UHFFFAOYSA-N
XLogP1.65
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(3-ethyl-2-pyridinyl)methyl]butanamide
CID 82738689
2-cyano-N-[(3-ethyl-2-pyridinyl)methyl]propanamide
CID 82737778
2-(azetidin-3-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82738136
2-(butan-2-ylamino)-N-pyridin-2-ylacetamide
CID 60852283
N-(ethylcarbamoyl)-2-[(3-ethyl-2-pyridinyl)methylamino]propanamide
CID 82738463
2-(butan-2-ylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide
CID 112669166
(2S)-2-[(3-ethyl-2-pyridinyl)methylcarbamoylamino]-3-methylbutanoic acid
CID 82749098
tert-butyl 4-[(3-ethyl-2-pyridinyl)methylamino]-4-oxobutanoate
CID 106707645
2-(3-amino-1,2,4-triazol-1-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82741688
2-(4-aminophenoxy)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82733539
3-(3-aminophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propanamide
CID 82733558
2-hydroxyethyl N-[(3-ethyl-2-pyridinyl)methyl]carbamate
CID 82744779

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide (CID 82738513) is 2-(butan-2-ylamino)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide is CCc1cccnc1CNC(=O)CNC(C)CC.
What is the InChIKey of 2-(butan-2-ylamino)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide?
The InChIKey is ZORYRYIGHNHDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-11(3)16-10-14(18)17-9-13-12(5-2)7-6-8-15-13/h6-8,11,16H,4-5,9-10H2,1-3H3,(H,17,18).
What are the key properties of 2-(butan-2-ylamino)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide?
2-(butan-2-ylamino)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide has a molecular weight of 249.36 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide is sourced from PubChem (CID 82738513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).