N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide

C14H12F2N2O2 — CID 38525076

IUPACN-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
SMILESO=C(NC[C@@H](O)c1ccc(F)cc1F)c1ccncc1
InChIInChI=1S/C14H12F2N2O2/c15-10-1-2-11(12(16)7-10)13(19)8-18-14(20)9-3-5-17-6-4-9/h1-7,13,19H,8H2,(H,18,20)/t13-/m1/s1
InChIKeyXODTXZUNFAEZGZ-CYBMUJFWSA-N
MW278.26 g/mol
LogP1.82
Rot. Bonds4

About N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide

N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide (PubChem CID 38525076) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
PubChem CID38525076
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC NameN-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
SMILESO=C(NC[C@@H](O)c1ccc(F)cc1F)c1ccncc1
InChIInChI=1S/C14H12F2N2O2/c15-10-1-2-11(12(16)7-10)13(19)8-18-14(20)9-3-5-17-6-4-9/h1-7,13,19H,8H2,(H,18,20)/t13-/m1/s1
InChIKeyXODTXZUNFAEZGZ-CYBMUJFWSA-N
XLogP1.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 38524721
N,N'-bis[2-(2,4-difluorophenyl)-2-hydroxyethyl]pentanediamide
CID 166196892
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 51725997
N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 51725998
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
CID 38524814
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
CID 42959013
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 51094257
N-(2,3-dihydroxypropyl)pyridine-4-carboxamide
CID 66176252
N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide
CID 103770299
1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-phenylurea
CID 51729222
1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea
CID 94172086
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea
CID 51083657

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide?
The IUPAC name of N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide (CID 38525076) is N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide is O=C(NC[C@@H](O)c1ccc(F)cc1F)c1ccncc1.
What is the InChIKey of N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide?
The InChIKey is XODTXZUNFAEZGZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c15-10-1-2-11(12(16)7-10)13(19)8-18-14(20)9-3-5-17-6-4-9/h1-7,13,19H,8H2,(H,18,20)/t13-/m1/s1.
What are the key properties of N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide?
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide has a molecular weight of 278.26 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide is sourced from PubChem (CID 38525076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).