N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide

C11H16N2O3 — CID 103890812

IUPACN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide
SMILESCCC(CO)(CO)NC(=O)c1ccccn1
InChIInChI=1S/C11H16N2O3/c1-2-11(7-14,8-15)13-10(16)9-5-3-4-6-12-9/h3-6,14-15H,2,7-8H2,1H3,(H,13,16)
InChIKeyKFNSKHFAEYKSKD-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.06
Rot. Bonds5

About N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide (PubChem CID 103890812) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide
PubChem CID103890812
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide
SMILESCCC(CO)(CO)NC(=O)c1ccccn1
InChIInChI=1S/C11H16N2O3/c1-2-11(7-14,8-15)13-10(16)9-5-3-4-6-12-9/h3-6,14-15H,2,7-8H2,1H3,(H,13,16)
InChIKeyKFNSKHFAEYKSKD-UHFFFAOYSA-N
XLogP-0.06
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 39902982
N-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide
CID 15860605
N-(1-bromo-2-methylbutan-2-yl)pyridine-2-carboxamide
CID 114314515
N-(1-amino-2-methylbutan-2-yl)pyridine-2-carboxamide
CID 64549265
N-(1-hydroxy-2-phenylpropan-2-yl)pyridine-2-carboxamide
CID 105059023
5-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide
CID 113435003
6-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridazine-3-carboxamide
CID 107865144
N-[3-(hydroxymethyl)pentan-3-yl]quinoline-2-carboxamide
CID 62517417
1-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]isoquinoline-3-carboxamide
CID 104630197
N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 55209778
N-[3-(hydroxymethyl)pentan-3-yl]-1,2-oxazole-3-carboxamide
CID 62520148
N-(1-amino-2-methyl-1-oxopropan-2-yl)pyridine-2-carboxamide
CID 110475836

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide (CID 103890812) is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide is CCC(CO)(CO)NC(=O)c1ccccn1.
What is the InChIKey of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide?
The InChIKey is KFNSKHFAEYKSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-11(7-14,8-15)13-10(16)9-5-3-4-6-12-9/h3-6,14-15H,2,7-8H2,1H3,(H,13,16).
What are the key properties of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide?
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide has a molecular weight of 224.26 g/mol, XLogP of -0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 103890812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).