N-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3,4-dihydroxybutyl]acetamide

C12H19N3O4 — CID 171883044

IUPACN-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3,4-dihydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1cnc(N)c(CO)c1
InChIInChI=1S/C12H19N3O4/c1-7(17)14-3-2-10(18)11(19)8-4-9(6-16)12(13)15-5-8/h4-5,10-11,16,18-19H,2-3,6H2,1H3,(H2,13,15)(H,14,17)
InChIKeyUAEWTHFNYOEUSH-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.92
Rot. Bonds6

About N-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3,4-dihydroxybutyl]acetamide

N-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3,4-dihydroxybutyl]acetamide (PubChem CID 171883044) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3,4-dihydroxybutyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3,4-dihydroxybutyl]acetamide
PubChem CID171883044
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC NameN-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3,4-dihydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1cnc(N)c(CO)c1
InChIInChI=1S/C12H19N3O4/c1-7(17)14-3-2-10(18)11(19)8-4-9(6-16)12(13)15-5-8/h4-5,10-11,16,18-19H,2-3,6H2,1H3,(H2,13,15)(H,14,17)
InChIKeyUAEWTHFNYOEUSH-UHFFFAOYSA-N
XLogP-0.92
TPSA128.70 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-(4-acetamido-1,2-dihydroxybutyl)-2-aminopyridine-3-carboxylate
CID 171883681
methyl 4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3,4-dihydroxybutanoate
CID 171895585
N-[4-(6-amino-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882499
N-[4-[4-chloro-3-(hydroxymethyl)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171882949
N-[4-(4-amino-6-chloro-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882686
N-[3,4-dihydroxy-4-(1H-pyrazolo[4,5-b]pyridin-6-yl)butyl]acetamide
CID 171883227
N-[4-(3,5-dichlorophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882625
N-[3,4-dihydroxy-4-(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-6-yl)butyl]acetamide
CID 171883256
N-[4-(3-amino-4-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882789
N-[4-(6-amino-4-chloro-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882698
N-[3,4-dihydroxy-4-(6-methoxy-3-pyridinyl)butyl]acetamide
CID 171882826
N-[4-(3-amino-4-chlorophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882761

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3,4-dihydroxybutyl]acetamide?
The IUPAC name of N-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3,4-dihydroxybutyl]acetamide (CID 171883044) is N-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3,4-dihydroxybutyl]acetamide.
What is the SMILES notation for N-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3,4-dihydroxybutyl]acetamide?
The canonical SMILES for N-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3,4-dihydroxybutyl]acetamide is CC(=O)NCCC(O)C(O)c1cnc(N)c(CO)c1.
What is the InChIKey of N-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3,4-dihydroxybutyl]acetamide?
The InChIKey is UAEWTHFNYOEUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-7(17)14-3-2-10(18)11(19)8-4-9(6-16)12(13)15-5-8/h4-5,10-11,16,18-19H,2-3,6H2,1H3,(H2,13,15)(H,14,17).
What are the key properties of N-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3,4-dihydroxybutyl]acetamide?
N-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3,4-dihydroxybutyl]acetamide has a molecular weight of 269.30 g/mol, XLogP of -0.92, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3,4-dihydroxybutyl]acetamide is sourced from PubChem (CID 171883044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).