5-bromo-6-ethyl-N-[(2R)-4-methylpentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide

C14H21BrN2O2 — CID 125490531

IUPAC5-bromo-6-ethyl-N-[(2R)-4-methylpentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCCc1[nH]c(=O)c(C(=O)N[C@H](C)CC(C)C)cc1Br
InChIInChI=1S/C14H21BrN2O2/c1-5-12-11(15)7-10(14(19)17-12)13(18)16-9(4)6-8(2)3/h7-9H,5-6H2,1-4H3,(H,16,18)(H,17,19)/t9-/m1/s1
InChIKeyGUQJDCHQQRUPSS-SECBINFHSA-N
MW329.24 g/mol
LogP2.86
Rot. Bonds5

About 5-bromo-6-ethyl-N-[(2R)-4-methylpentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide

5-bromo-6-ethyl-N-[(2R)-4-methylpentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 125490531) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 5-bromo-6-ethyl-N-[(2R)-4-methylpentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-6-ethyl-N-[(2R)-4-methylpentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID125490531
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name5-bromo-6-ethyl-N-[(2R)-4-methylpentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCCc1[nH]c(=O)c(C(=O)N[C@H](C)CC(C)C)cc1Br
InChIInChI=1S/C14H21BrN2O2/c1-5-12-11(15)7-10(14(19)17-12)13(18)16-9(4)6-8(2)3/h7-9H,5-6H2,1-4H3,(H,16,18)(H,17,19)/t9-/m1/s1
InChIKeyGUQJDCHQQRUPSS-SECBINFHSA-N
XLogP2.86
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[(2S)-butan-2-yl]-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125490367
5-bromo-6-ethyl-N-(2-methoxyethyl)-2-oxo-1H-pyridine-3-carboxamide
CID 125491067
6-ethyl-5-iodo-2-oxo-N-[(2R)-pentan-2-yl]-1H-pyridine-3-carboxamide
CID 125491217
5-chloro-6-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1H-pyridine-3-carboxamide
CID 125490940
6-ethyl-N-[(2S)-heptan-2-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125490976
5-bromo-6-methyl-N-[(2R)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 125490373
N-[(1S)-1-cyclopropylethyl]-5,6-diethyl-2-oxo-1H-pyridine-3-carboxamide
CID 125490222
5-bromo-6-methyl-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 99697750
5,6-diethyl-2-oxo-N-[(1R)-1-phenylethyl]-1H-pyridine-3-carboxamide
CID 125491409
N-[(2S)-heptan-2-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125491124
6-ethyl-2-oxo-N-pentan-3-yl-5-propyl-1H-pyridine-3-carboxamide
CID 125490211
4,5-dibromo-N-(4-methylpentan-2-yl)thiophene-2-carboxamide
CID 80536678

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-ethyl-N-[(2R)-4-methylpentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-bromo-6-ethyl-N-[(2R)-4-methylpentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide (CID 125490531) is 5-bromo-6-ethyl-N-[(2R)-4-methylpentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-6-ethyl-N-[(2R)-4-methylpentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-6-ethyl-N-[(2R)-4-methylpentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide is CCc1[nH]c(=O)c(C(=O)N[C@H](C)CC(C)C)cc1Br.
What is the InChIKey of 5-bromo-6-ethyl-N-[(2R)-4-methylpentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is GUQJDCHQQRUPSS-SECBINFHSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-5-12-11(15)7-10(14(19)17-12)13(18)16-9(4)6-8(2)3/h7-9H,5-6H2,1-4H3,(H,16,18)(H,17,19)/t9-/m1/s1.
What are the key properties of 5-bromo-6-ethyl-N-[(2R)-4-methylpentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
5-bromo-6-ethyl-N-[(2R)-4-methylpentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 329.24 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-ethyl-N-[(2R)-4-methylpentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 125490531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).