2,4-dihydroxy-N-(2-methyl-2-pyridin-4-ylpropyl)benzamide

C16H18N2O3 — CID 75484225

IUPAC2,4-dihydroxy-N-(2-methyl-2-pyridin-4-ylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1ccc(O)cc1O)c1ccncc1
InChIInChI=1S/C16H18N2O3/c1-16(2,11-5-7-17-8-6-11)10-18-15(21)13-4-3-12(19)9-14(13)20/h3-9,19-20H,10H2,1-2H3,(H,18,21)
InChIKeySPTSLQXVLCYVAR-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.20
Rot. Bonds4

About 2,4-dihydroxy-N-(2-methyl-2-pyridin-4-ylpropyl)benzamide

2,4-dihydroxy-N-(2-methyl-2-pyridin-4-ylpropyl)benzamide (PubChem CID 75484225) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2,4-dihydroxy-N-(2-methyl-2-pyridin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-(2-methyl-2-pyridin-4-ylpropyl)benzamide
PubChem CID75484225
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2,4-dihydroxy-N-(2-methyl-2-pyridin-4-ylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1ccc(O)cc1O)c1ccncc1
InChIInChI=1S/C16H18N2O3/c1-16(2,11-5-7-17-8-6-11)10-18-15(21)13-4-3-12(19)9-14(13)20/h3-9,19-20H,10H2,1-2H3,(H,18,21)
InChIKeySPTSLQXVLCYVAR-UHFFFAOYSA-N
XLogP2.20
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dihydroxy-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65110545
N-(3-bromo-2,2-dimethylpropyl)-2,4-dihydroxybenzamide
CID 107726081
2,4-dihydroxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 103714343
3-[(2,4-dihydroxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172176
N-(2-methyl-2-pyridin-4-ylpropyl)-2-oxopropanamide
CID 115176145
2,4-dihydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104957549
2-(hydroxymethyl)-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide
CID 115186798
2-chloro-N-(2-methyl-2-pyridin-4-ylpropyl)acetamide
CID 115162284
3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]-4-oxobutanoic acid
CID 115164730
2-(methylamino)-3-[(2-methyl-2-pyridin-4-ylpropyl)amino]-3-oxopropanoic acid
CID 115189572
3-methoxy-N-(2-methyl-2-pyridin-4-ylpropyl)-2-nitrobenzamide
CID 99837476
N-(2-methyl-2-pyridin-4-ylpropyl)piperidine-4-carboxamide
CID 115160070

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-(2-methyl-2-pyridin-4-ylpropyl)benzamide?
The IUPAC name of 2,4-dihydroxy-N-(2-methyl-2-pyridin-4-ylpropyl)benzamide (CID 75484225) is 2,4-dihydroxy-N-(2-methyl-2-pyridin-4-ylpropyl)benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-(2-methyl-2-pyridin-4-ylpropyl)benzamide?
The canonical SMILES for 2,4-dihydroxy-N-(2-methyl-2-pyridin-4-ylpropyl)benzamide is CC(C)(CNC(=O)c1ccc(O)cc1O)c1ccncc1.
What is the InChIKey of 2,4-dihydroxy-N-(2-methyl-2-pyridin-4-ylpropyl)benzamide?
The InChIKey is SPTSLQXVLCYVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-16(2,11-5-7-17-8-6-11)10-18-15(21)13-4-3-12(19)9-14(13)20/h3-9,19-20H,10H2,1-2H3,(H,18,21).
What are the key properties of 2,4-dihydroxy-N-(2-methyl-2-pyridin-4-ylpropyl)benzamide?
2,4-dihydroxy-N-(2-methyl-2-pyridin-4-ylpropyl)benzamide has a molecular weight of 286.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-(2-methyl-2-pyridin-4-ylpropyl)benzamide is sourced from PubChem (CID 75484225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).