N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide

C14H12F2N2O2 — CID 26001406

IUPACN-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1ccc(=O)[nH]c1)c1ccc(F)cc1F
InChIInChI=1S/C14H12F2N2O2/c1-8(11-4-3-10(15)6-12(11)16)18-14(20)9-2-5-13(19)17-7-9/h2-8H,1H3,(H,17,19)(H,18,20)/t8-/m0/s1
InChIKeyUQUBGJHJONAYQI-QMMMGPOBSA-N
MW278.26 g/mol
LogP2.14
Rot. Bonds3

About N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 26001406) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID26001406
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC NameN-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1ccc(=O)[nH]c1)c1ccc(F)cc1F
InChIInChI=1S/C14H12F2N2O2/c1-8(11-4-3-10(15)6-12(11)16)18-14(20)9-2-5-13(19)17-7-9/h2-8H,1H3,(H,17,19)(H,18,20)/t8-/m0/s1
InChIKeyUQUBGJHJONAYQI-QMMMGPOBSA-N
XLogP2.14
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56809827
4-acetamido-N-[(1R)-1-(2,4-difluorophenyl)ethyl]benzamide
CID 26172289
N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60737307
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
N-[1-(4-fluorophenyl)propan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 60794170
3-bromo-4-chloro-N-[1-(2,4-difluorophenyl)ethyl]benzamide
CID 107999356
N-[1-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide
CID 112763849
3-bromo-N-[1-(2,4-difluorophenyl)ethyl]-5-methylbenzamide
CID 104852174
N-[1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61249942
N-[1-(2,4-difluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 17494652
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
N-[1-(2,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 42907068

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 26001406) is N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is C[C@H](NC(=O)c1ccc(=O)[nH]c1)c1ccc(F)cc1F.
What is the InChIKey of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is UQUBGJHJONAYQI-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c1-8(11-4-3-10(15)6-12(11)16)18-14(20)9-2-5-13(19)17-7-9/h2-8H,1H3,(H,17,19)(H,18,20)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 278.26 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 26001406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).