2-chloro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]acetamide

C11H16ClN3O2 — CID 82022508

IUPAC2-chloro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]acetamide
SMILESCCC(CO)Nc1ccc(NC(=O)CCl)cn1
InChIInChI=1S/C11H16ClN3O2/c1-2-8(7-16)14-10-4-3-9(6-13-10)15-11(17)5-12/h3-4,6,8,16H,2,5,7H2,1H3,(H,13,14)(H,15,17)
InChIKeyQIXKHJCOTWQXGL-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.44
Rot. Bonds6

About 2-chloro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]acetamide

2-chloro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]acetamide (PubChem CID 82022508) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-chloro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]acetamide
PubChem CID82022508
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name2-chloro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]acetamide
SMILESCCC(CO)Nc1ccc(NC(=O)CCl)cn1
InChIInChI=1S/C11H16ClN3O2/c1-2-8(7-16)14-10-4-3-9(6-13-10)15-11(17)5-12/h3-4,6,8,16H,2,5,7H2,1H3,(H,13,14)(H,15,17)
InChIKeyQIXKHJCOTWQXGL-UHFFFAOYSA-N
XLogP1.44
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-2-phenylacetamide
CID 82022523
2-[[5-(ethylamino)-2-pyridinyl]amino]butan-1-ol
CID 82104378
2-fluoro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]benzamide
CID 82022519
2-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 43500164
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
(2S)-2-[(5-nitro-2-pyridinyl)amino]butan-1-ol
CID 28852088
6-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-carbonitrile
CID 51681205
2-chloro-N-(6-methylsulfonyl-3-pyridinyl)acetamide
CID 43696835
2-chloro-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 12032305
N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide
CID 28903424
N-[6-(butylamino)-3-pyridinyl]-3-methylbutanamide
CID 113009445
N-[6-(pentanoylamino)-3-pyridinyl]pentanamide
CID 649725

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]acetamide?
The IUPAC name of 2-chloro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]acetamide (CID 82022508) is 2-chloro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-chloro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]acetamide?
The canonical SMILES for 2-chloro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]acetamide is CCC(CO)Nc1ccc(NC(=O)CCl)cn1.
What is the InChIKey of 2-chloro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]acetamide?
The InChIKey is QIXKHJCOTWQXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-2-8(7-16)14-10-4-3-9(6-13-10)15-11(17)5-12/h3-4,6,8,16H,2,5,7H2,1H3,(H,13,14)(H,15,17).
What are the key properties of 2-chloro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]acetamide?
2-chloro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]acetamide has a molecular weight of 257.72 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]acetamide is sourced from PubChem (CID 82022508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).