3,5-dichloro-N-[2-hydroxy-1-(4-methylphenyl)propyl]pyridine-4-carboxamide

C16H16Cl2N2O2 — CID 142103685

IUPAC3,5-dichloro-N-[2-hydroxy-1-(4-methylphenyl)propyl]pyridine-4-carboxamide
SMILESCc1ccc(C(NC(=O)c2c(Cl)cncc2Cl)C(C)O)cc1
InChIInChI=1S/C16H16Cl2N2O2/c1-9-3-5-11(6-4-9)15(10(2)21)20-16(22)14-12(17)7-19-8-13(14)18/h3-8,10,15,21H,1-2H3,(H,20,22)
InChIKeyXSLLRHRXEKBCQF-UHFFFAOYSA-N
MW339.22 g/mol
LogP3.55
Rot. Bonds4

About 3,5-dichloro-N-[2-hydroxy-1-(4-methylphenyl)propyl]pyridine-4-carboxamide

3,5-dichloro-N-[2-hydroxy-1-(4-methylphenyl)propyl]pyridine-4-carboxamide (PubChem CID 142103685) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-hydroxy-1-(4-methylphenyl)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-hydroxy-1-(4-methylphenyl)propyl]pyridine-4-carboxamide
PubChem CID142103685
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name3,5-dichloro-N-[2-hydroxy-1-(4-methylphenyl)propyl]pyridine-4-carboxamide
SMILESCc1ccc(C(NC(=O)c2c(Cl)cncc2Cl)C(C)O)cc1
InChIInChI=1S/C16H16Cl2N2O2/c1-9-3-5-11(6-4-9)15(10(2)21)20-16(22)14-12(17)7-19-8-13(14)18/h3-8,10,15,21H,1-2H3,(H,20,22)
InChIKeyXSLLRHRXEKBCQF-UHFFFAOYSA-N
XLogP3.55
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(methylamino)-1-(4-methylphenyl)propan-2-ol
CID 116859377
3,5-dichloro-N-[2-hydroxy-1-(4-iodophenyl)ethyl]pyridine-4-carboxamide
CID 20820227
ethyl 2-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate
CID 141067849
N-[(1S,2R)-2-hydroxy-1-phenylpropyl]benzamide
CID 6934600
3,5-dichloro-N-hydroxypyridine-4-carboxamide;hydrochloride
CID 175522535
5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 47162672
3-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-4-amine
CID 79839779
2,3-dihydroxypropyl 2-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate
CID 141067803
5-chloro-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 107244492
N-[1-(4-bromo-2-methylphenyl)-2-hydroxyethyl]-3,5-dichloropyridine-4-carboxamide
CID 22344553
3,5-dichloro-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-(2-methylpropoxy)propan-2-yl]pyridine-4-carboxamide
CID 169232213
2,2-dimethylpropyl 2-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate
CID 141067812

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-hydroxy-1-(4-methylphenyl)propyl]pyridine-4-carboxamide?
The IUPAC name of 3,5-dichloro-N-[2-hydroxy-1-(4-methylphenyl)propyl]pyridine-4-carboxamide (CID 142103685) is 3,5-dichloro-N-[2-hydroxy-1-(4-methylphenyl)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 3,5-dichloro-N-[2-hydroxy-1-(4-methylphenyl)propyl]pyridine-4-carboxamide?
The canonical SMILES for 3,5-dichloro-N-[2-hydroxy-1-(4-methylphenyl)propyl]pyridine-4-carboxamide is Cc1ccc(C(NC(=O)c2c(Cl)cncc2Cl)C(C)O)cc1.
What is the InChIKey of 3,5-dichloro-N-[2-hydroxy-1-(4-methylphenyl)propyl]pyridine-4-carboxamide?
The InChIKey is XSLLRHRXEKBCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-9-3-5-11(6-4-9)15(10(2)21)20-16(22)14-12(17)7-19-8-13(14)18/h3-8,10,15,21H,1-2H3,(H,20,22).
What are the key properties of 3,5-dichloro-N-[2-hydroxy-1-(4-methylphenyl)propyl]pyridine-4-carboxamide?
3,5-dichloro-N-[2-hydroxy-1-(4-methylphenyl)propyl]pyridine-4-carboxamide has a molecular weight of 339.22 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-hydroxy-1-(4-methylphenyl)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 142103685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).