2,4-dihydroxy-3,3-dimethyl-N-pyridin-2-ylbutanamide

C11H16N2O3 — CID 119095301

IUPAC2,4-dihydroxy-3,3-dimethyl-N-pyridin-2-ylbutanamide
SMILESCC(C)(CO)C(O)C(=O)Nc1ccccn1
InChIInChI=1S/C11H16N2O3/c1-11(2,7-14)9(15)10(16)13-8-5-3-4-6-12-8/h3-6,9,14-15H,7H2,1-2H3,(H,12,13,16)
InChIKeySDQQEOSAMWQPIQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.40
Rot. Bonds4

About 2,4-dihydroxy-3,3-dimethyl-N-pyridin-2-ylbutanamide

2,4-dihydroxy-3,3-dimethyl-N-pyridin-2-ylbutanamide (PubChem CID 119095301) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2,4-dihydroxy-3,3-dimethyl-N-pyridin-2-ylbutanamide.

Molecular Properties

Compound Name2,4-dihydroxy-3,3-dimethyl-N-pyridin-2-ylbutanamide
PubChem CID119095301
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2,4-dihydroxy-3,3-dimethyl-N-pyridin-2-ylbutanamide
SMILESCC(C)(CO)C(O)C(=O)Nc1ccccn1
InChIInChI=1S/C11H16N2O3/c1-11(2,7-14)9(15)10(16)13-8-5-3-4-6-12-8/h3-6,9,14-15H,7H2,1-2H3,(H,12,13,16)
InChIKeySDQQEOSAMWQPIQ-UHFFFAOYSA-N
XLogP0.40
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-methyl-N-pyridin-2-ylbutanamide
CID 64684321
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
2-chloro-N-pyridin-2-ylpropanamide
CID 16789014
3,3-dimethyl-N-pyridin-2-ylpentanamide
CID 134494130
2-(diethylamino)-N-pyridin-2-ylpropanamide
CID 131880299
2-(methylaminomethyl)-N-pyridin-2-ylbutanamide
CID 115188762
molecular hydrogen;N-pyridin-2-ylbutanamide
CID 142960531
1-(2-tert-butylphenyl)-3-pyridin-2-ylurea
CID 110491801
3-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid
CID 64895452
(2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride
CID 139893651
(2S,3R)-3-[[(2S)-3,3-dimethyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]carbamoyl]-2-hydroxy-5-methylhexanoic acid
CID 70257923
N-(2-hydroxypropyl)-N'-pyridin-2-yloxamide
CID 44999298

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-3,3-dimethyl-N-pyridin-2-ylbutanamide?
The IUPAC name of 2,4-dihydroxy-3,3-dimethyl-N-pyridin-2-ylbutanamide (CID 119095301) is 2,4-dihydroxy-3,3-dimethyl-N-pyridin-2-ylbutanamide.
What is the SMILES notation for 2,4-dihydroxy-3,3-dimethyl-N-pyridin-2-ylbutanamide?
The canonical SMILES for 2,4-dihydroxy-3,3-dimethyl-N-pyridin-2-ylbutanamide is CC(C)(CO)C(O)C(=O)Nc1ccccn1.
What is the InChIKey of 2,4-dihydroxy-3,3-dimethyl-N-pyridin-2-ylbutanamide?
The InChIKey is SDQQEOSAMWQPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-11(2,7-14)9(15)10(16)13-8-5-3-4-6-12-8/h3-6,9,14-15H,7H2,1-2H3,(H,12,13,16).
What are the key properties of 2,4-dihydroxy-3,3-dimethyl-N-pyridin-2-ylbutanamide?
2,4-dihydroxy-3,3-dimethyl-N-pyridin-2-ylbutanamide has a molecular weight of 224.26 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-3,3-dimethyl-N-pyridin-2-ylbutanamide is sourced from PubChem (CID 119095301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).