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

C17H21N3O2 — CID 82022523

IUPACN-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-2-phenylacetamide
SMILESCCC(CO)Nc1ccc(NC(=O)Cc2ccccc2)cn1
InChIInChI=1S/C17H21N3O2/c1-2-14(12-21)19-16-9-8-15(11-18-16)20-17(22)10-13-6-4-3-5-7-13/h3-9,11,14,21H,2,10,12H2,1H3,(H,18,19)(H,20,22)
InChIKeyADTCBFOKPXLIMG-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.45
Rot. Bonds7

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

N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-2-phenylacetamide (PubChem CID 82022523) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-2-phenylacetamide
PubChem CID82022523
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-2-phenylacetamide
SMILESCCC(CO)Nc1ccc(NC(=O)Cc2ccccc2)cn1
InChIInChI=1S/C17H21N3O2/c1-2-14(12-21)19-16-9-8-15(11-18-16)20-17(22)10-13-6-4-3-5-7-13/h3-9,11,14,21H,2,10,12H2,1H3,(H,18,19)(H,20,22)
InChIKeyADTCBFOKPXLIMG-UHFFFAOYSA-N
XLogP2.45
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]acetamide
CID 82022508
2-fluoro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]benzamide
CID 82022519
N-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-phenylacetamide
CID 82022490
2-[[5-(ethylamino)-2-pyridinyl]amino]butan-1-ol
CID 82104378
2-phenyl-N-[5-(1-phenylethylamino)-2-pyridinyl]acetamide
CID 113026808
N-[6-(benzylamino)-3-pyridinyl]propanamide
CID 110178661
N-[6-(butan-2-ylamino)-3-pyridinyl]-2-phenoxyacetamide
CID 113009745
N-(6-anilino-3-pyridinyl)-2-(4-butylphenyl)acetamide
CID 110178545
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-phenylacetamide
CID 113012292
N-[6-(2,5-dimethylanilino)-3-pyridinyl]-2-phenylacetamide
CID 113016876
2-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 43500164
N-[6-[butyl(methyl)amino]-3-pyridinyl]-2-phenylacetamide
CID 113015350

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-2-phenylacetamide?
The IUPAC name of N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-2-phenylacetamide (CID 82022523) is N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-2-phenylacetamide?
The canonical SMILES for N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-2-phenylacetamide is CCC(CO)Nc1ccc(NC(=O)Cc2ccccc2)cn1.
What is the InChIKey of N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-2-phenylacetamide?
The InChIKey is ADTCBFOKPXLIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-14(12-21)19-16-9-8-15(11-18-16)20-17(22)10-13-6-4-3-5-7-13/h3-9,11,14,21H,2,10,12H2,1H3,(H,18,19)(H,20,22).
What are the key properties of N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-2-phenylacetamide?
N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-2-phenylacetamide has a molecular weight of 299.37 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 82022523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).