N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide

C15H16N2O3 — CID 47178927

IUPACN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(O)CNC(=O)c2cccnc2)cc1
InChIInChI=1S/C15H16N2O3/c1-20-13-6-4-11(5-7-13)14(18)10-17-15(19)12-3-2-8-16-9-12/h2-9,14,18H,10H2,1H3,(H,17,19)
InChIKeyDMSHXXWKWPCAFY-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.55
Rot. Bonds5

About N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 47178927) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
PubChem CID47178927
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(O)CNC(=O)c2cccnc2)cc1
InChIInChI=1S/C15H16N2O3/c1-20-13-6-4-11(5-7-13)14(18)10-17-15(19)12-3-2-8-16-9-12/h2-9,14,18H,10H2,1H3,(H,17,19)
InChIKeyDMSHXXWKWPCAFY-UHFFFAOYSA-N
XLogP1.55
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)-3-pyridin-3-ylpropyl]pyridine-3-carboxamide
CID 110361132
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 47178909
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 111477233
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 55690776
N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyridine-3-carboxamide
CID 51094308
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 110889479
methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate
CID 103879213
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 111109292
4-fluoro-N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 38800266
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide
CID 110889458
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 110889483

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide (CID 47178927) is N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide is COc1ccc(C(O)CNC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is DMSHXXWKWPCAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-13-6-4-11(5-7-13)14(18)10-17-15(19)12-3-2-8-16-9-12/h2-9,14,18H,10H2,1H3,(H,17,19).
What are the key properties of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 47178927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).