N-[4-(4-amino-6-chloro-3-pyridinyl)-3,4-dihydroxybutyl]acetamide

C11H16ClN3O3 — CID 171882686

IUPACN-[4-(4-amino-6-chloro-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1cnc(Cl)cc1N
InChIInChI=1S/C11H16ClN3O3/c1-6(16)14-3-2-9(17)11(18)7-5-15-10(12)4-8(7)13/h4-5,9,11,17-18H,2-3H2,1H3,(H2,13,15)(H,14,16)
InChIKeyXDBXLVUJBVJCAY-UHFFFAOYSA-N
MW273.72 g/mol
LogP0.24
Rot. Bonds5

About N-[4-(4-amino-6-chloro-3-pyridinyl)-3,4-dihydroxybutyl]acetamide

N-[4-(4-amino-6-chloro-3-pyridinyl)-3,4-dihydroxybutyl]acetamide (PubChem CID 171882686) has the molecular formula C11H16ClN3O3 and a molecular weight of 273.72 g/mol. Its IUPAC name is N-[4-(4-amino-6-chloro-3-pyridinyl)-3,4-dihydroxybutyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-amino-6-chloro-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
PubChem CID171882686
Molecular FormulaC11H16ClN3O3
Molecular Weight273.72 g/mol
Exact Mass273.09
IUPAC NameN-[4-(4-amino-6-chloro-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1cnc(Cl)cc1N
InChIInChI=1S/C11H16ClN3O3/c1-6(16)14-3-2-9(17)11(18)7-5-15-10(12)4-8(7)13/h4-5,9,11,17-18H,2-3H2,1H3,(H2,13,15)(H,14,16)
InChIKeyXDBXLVUJBVJCAY-UHFFFAOYSA-N
XLogP0.24
TPSA108.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 50.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(6-amino-4-chloro-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882698
S-[4-(4-amino-6-chloro-3-pyridinyl)-3,4-dihydroxybutyl] ethanethioate
CID 171875521
N-[4-(2-amino-4-chloropyrimidin-5-yl)-3,4-dihydroxybutyl]acetamide
CID 171882852
N-[4-(2,4-dichloropyrimidin-5-yl)-3,4-dihydroxybutyl]acetamide
CID 171882730
N-[4-(2-amino-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882497
1-(4-amino-6-chloro-3-pyridinyl)-3-sulfanylpropane-1,2-diol
CID 170819513
4-(4-acetamido-1,2-dihydroxybutyl)-3-aminobenzoic acid
CID 171883510
N-[4-(6-amino-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882499
N-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3,4-dihydroxybutyl]acetamide
CID 171883044
N-[4-(2-amino-4-methoxyphenyl)-3,4-dihydroxybutyl]acetamide
CID 171883166
tert-butyl N-[4-(6-chloro-4-methyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171884554
N-[4-(3-amino-4-chlorophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882761

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-6-chloro-3-pyridinyl)-3,4-dihydroxybutyl]acetamide?
The IUPAC name of N-[4-(4-amino-6-chloro-3-pyridinyl)-3,4-dihydroxybutyl]acetamide (CID 171882686) is N-[4-(4-amino-6-chloro-3-pyridinyl)-3,4-dihydroxybutyl]acetamide.
What is the SMILES notation for N-[4-(4-amino-6-chloro-3-pyridinyl)-3,4-dihydroxybutyl]acetamide?
The canonical SMILES for N-[4-(4-amino-6-chloro-3-pyridinyl)-3,4-dihydroxybutyl]acetamide is CC(=O)NCCC(O)C(O)c1cnc(Cl)cc1N.
What is the InChIKey of N-[4-(4-amino-6-chloro-3-pyridinyl)-3,4-dihydroxybutyl]acetamide?
The InChIKey is XDBXLVUJBVJCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3/c1-6(16)14-3-2-9(17)11(18)7-5-15-10(12)4-8(7)13/h4-5,9,11,17-18H,2-3H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of N-[4-(4-amino-6-chloro-3-pyridinyl)-3,4-dihydroxybutyl]acetamide?
N-[4-(4-amino-6-chloro-3-pyridinyl)-3,4-dihydroxybutyl]acetamide has a molecular weight of 273.72 g/mol, XLogP of 0.24, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-6-chloro-3-pyridinyl)-3,4-dihydroxybutyl]acetamide is sourced from PubChem (CID 171882686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).