N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-5-methylpyridine-3-carboxamide

C15H14F2N2O2 — CID 111478300

IUPACN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)NCC(O)c2c(F)cccc2F)c1
InChIInChI=1S/C15H14F2N2O2/c1-9-5-10(7-18-6-9)15(21)19-8-13(20)14-11(16)3-2-4-12(14)17/h2-7,13,20H,8H2,1H3,(H,19,21)
InChIKeyFVVGGQYAZLLZJC-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.13
Rot. Bonds4

About N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-5-methylpyridine-3-carboxamide

N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-5-methylpyridine-3-carboxamide (PubChem CID 111478300) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-5-methylpyridine-3-carboxamide
PubChem CID111478300
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC NameN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)NCC(O)c2c(F)cccc2F)c1
InChIInChI=1S/C15H14F2N2O2/c1-9-5-10(7-18-6-9)15(21)19-8-13(20)14-11(16)3-2-4-12(14)17/h2-7,13,20H,8H2,1H3,(H,19,21)
InChIKeyFVVGGQYAZLLZJC-UHFFFAOYSA-N
XLogP2.13
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-2-(2-methylphenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 111477571
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-methylsulfanylbenzamide
CID 111451310
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluorobenzamide
CID 111451432
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 111477233
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-hydroxy-5-methylbenzamide
CID 111451372
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylpyridine-3-carboxamide
CID 111477320
N-(4-amino-2-methylbutyl)-5-methylpyridine-3-carboxamide
CID 66092534
N-[2-(2-hydroxypropylamino)ethyl]-5-methylpyridine-3-carboxamide
CID 104593590
4-cyano-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide
CID 111451257
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-imidazol-1-ylbenzamide
CID 111451547
N-(2-bromo-3-methoxypropyl)-5-methylpyridine-3-carboxamide
CID 114310132
N-(2-amino-4,4-dimethylpentyl)-5-methylpyridine-3-carboxamide
CID 107158461

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-5-methylpyridine-3-carboxamide (CID 111478300) is N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-5-methylpyridine-3-carboxamide is Cc1cncc(C(=O)NCC(O)c2c(F)cccc2F)c1.
What is the InChIKey of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-5-methylpyridine-3-carboxamide?
The InChIKey is FVVGGQYAZLLZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c1-9-5-10(7-18-6-9)15(21)19-8-13(20)14-11(16)3-2-4-12(14)17/h2-7,13,20H,8H2,1H3,(H,19,21).
What are the key properties of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-5-methylpyridine-3-carboxamide?
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-5-methylpyridine-3-carboxamide has a molecular weight of 292.29 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 111478300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).