N-[2-(4-bromophenyl)-2-hydroxypropyl]pyridine-3-carboxamide

C15H15BrN2O2 — CID 110291647

IUPACN-[2-(4-bromophenyl)-2-hydroxypropyl]pyridine-3-carboxamide
SMILESCC(O)(CNC(=O)c1cccnc1)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O2/c1-15(20,12-4-6-13(16)7-5-12)10-18-14(19)11-3-2-8-17-9-11/h2-9,20H,10H2,1H3,(H,18,19)
InChIKeyAULYGGAOVRXQAY-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.48
Rot. Bonds4

About N-[2-(4-bromophenyl)-2-hydroxypropyl]pyridine-3-carboxamide

N-[2-(4-bromophenyl)-2-hydroxypropyl]pyridine-3-carboxamide (PubChem CID 110291647) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-hydroxypropyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-hydroxypropyl]pyridine-3-carboxamide
PubChem CID110291647
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC NameN-[2-(4-bromophenyl)-2-hydroxypropyl]pyridine-3-carboxamide
SMILESCC(O)(CNC(=O)c1cccnc1)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O2/c1-15(20,12-4-6-13(16)7-5-12)10-18-14(19)11-3-2-8-17-9-11/h2-9,20H,10H2,1H3,(H,18,19)
InChIKeyAULYGGAOVRXQAY-UHFFFAOYSA-N
XLogP2.48
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromophenyl)-2-hydroxypropyl]-3-methylbenzamide
CID 110291619
5-bromo-N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]pyridine-3-carboxamide
CID 99873716
4-bromo-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458599
4-bromo-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide
CID 35151089
N-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110779584
methyl (2R)-2-methyl-2-phenyl-3-(pyridine-3-carbonylamino)propanoate
CID 99826011
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110630066
N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 118210842
N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 140896583
4-tert-butylphenol;N-(2-sulfanylethyl)pyridine-3-carboxamide
CID 88648286
N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65109884
N-(2-amino-2-methylpropyl)-4-bromobenzamide
CID 81482664

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-2-hydroxypropyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-bromophenyl)-2-hydroxypropyl]pyridine-3-carboxamide (CID 110291647) is N-[2-(4-bromophenyl)-2-hydroxypropyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-hydroxypropyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-bromophenyl)-2-hydroxypropyl]pyridine-3-carboxamide is CC(O)(CNC(=O)c1cccnc1)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)-2-hydroxypropyl]pyridine-3-carboxamide?
The InChIKey is AULYGGAOVRXQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-15(20,12-4-6-13(16)7-5-12)10-18-14(19)11-3-2-8-17-9-11/h2-9,20H,10H2,1H3,(H,18,19).
What are the key properties of N-[2-(4-bromophenyl)-2-hydroxypropyl]pyridine-3-carboxamide?
N-[2-(4-bromophenyl)-2-hydroxypropyl]pyridine-3-carboxamide has a molecular weight of 335.20 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-2-hydroxypropyl]pyridine-3-carboxamide is sourced from PubChem (CID 110291647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).