N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-pyridin-3-ylacetamide

C11H16N2O4 — CID 107845575

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)NC(CO)(CO)CO
InChIInChI=1S/C11H16N2O4/c14-6-11(7-15,8-16)13-10(17)4-9-2-1-3-12-5-9/h1-3,5,14-16H,4,6-8H2,(H,13,17)
InChIKeyVFIIHJAHDIWKDC-UHFFFAOYSA-N
MW240.26 g/mol
LogP-1.54
Rot. Bonds6

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-pyridin-3-ylacetamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-pyridin-3-ylacetamide (PubChem CID 107845575) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-pyridin-3-ylacetamide
PubChem CID107845575
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)NC(CO)(CO)CO
InChIInChI=1S/C11H16N2O4/c14-6-11(7-15,8-16)13-10(17)4-9-2-1-3-12-5-9/h1-3,5,14-16H,4,6-8H2,(H,13,17)
InChIKeyVFIIHJAHDIWKDC-UHFFFAOYSA-N
XLogP-1.54
TPSA102.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-1.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

CID 66868100
CID 66868100
N-(1-hydroxypropan-2-yl)-2-pyridin-3-ylacetamide
CID 62691061
2-pyridin-3-ylacetyl chloride
CID 14697475
2-(3-bromophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
CID 114008475
N-(4-hydroxybutan-2-yl)-2-pyridin-3-ylacetamide
CID 115283484
lithium;hydride;2-pyridin-3-ylacetic acid
CID 173026035
N-[4-(2-hydroxyethyl)cyclohexyl]-2-pyridin-3-ylacetamide
CID 116817232
3-methyl-3-(methylamino)-1-pyridin-3-ylbutan-2-one
CID 116566436
2-pyridin-3-yl-N-(2,4,6-trimethylphenyl)acetamide
CID 110697139
4-methyl-1-pyridin-3-ylpentan-2-one
CID 12999593
5-hydroxy-1-pyridin-3-ylpentan-2-one
CID 106677611
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyridin-3-ylacetamide
CID 102673691

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-pyridin-3-ylacetamide (CID 107845575) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-pyridin-3-ylacetamide is O=C(Cc1cccnc1)NC(CO)(CO)CO.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-pyridin-3-ylacetamide?
The InChIKey is VFIIHJAHDIWKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c14-6-11(7-15,8-16)13-10(17)4-9-2-1-3-12-5-9/h1-3,5,14-16H,4,6-8H2,(H,13,17).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-pyridin-3-ylacetamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-pyridin-3-ylacetamide has a molecular weight of 240.26 g/mol, XLogP of -1.54, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 107845575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).