3,5-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide

C14H14N2O3 — CID 103891609

IUPAC3,5-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(O)cc(O)c1)c1ccncc1
InChIInChI=1S/C14H14N2O3/c1-9(10-2-4-15-5-3-10)16-14(19)11-6-12(17)8-13(18)7-11/h2-9,17-18H,1H3,(H,16,19)
InChIKeyMNBDAYDFWYIUHF-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.98
Rot. Bonds3

About 3,5-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide

3,5-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide (PubChem CID 103891609) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3,5-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide
PubChem CID103891609
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name3,5-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(O)cc(O)c1)c1ccncc1
InChIInChI=1S/C14H14N2O3/c1-9(10-2-4-15-5-3-10)16-14(19)11-6-12(17)8-13(18)7-11/h2-9,17-18H,1H3,(H,16,19)
InChIKeyMNBDAYDFWYIUHF-UHFFFAOYSA-N
XLogP1.98
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide
CID 17330741
5-[1-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]benzene-1,3-diol
CID 107706948
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
4-benzoyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40513318
N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 42563511
N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide
CID 43297585
N-[1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 17173747
4-amino-3-bromo-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 81409737
3-hydroxy-4-nitro-N-(1-pyridin-4-ylethyl)benzamide
CID 18231117
4-nitro-N-(1-pyridin-4-ylethyl)benzamide
CID 17330712
3-methoxy-4-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 18160597

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide?
The IUPAC name of 3,5-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide (CID 103891609) is 3,5-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 3,5-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide is CC(NC(=O)c1cc(O)cc(O)c1)c1ccncc1.
What is the InChIKey of 3,5-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide?
The InChIKey is MNBDAYDFWYIUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9(10-2-4-15-5-3-10)16-14(19)11-6-12(17)8-13(18)7-11/h2-9,17-18H,1H3,(H,16,19).
What are the key properties of 3,5-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide?
3,5-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide has a molecular weight of 258.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 103891609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).