5-bromo-N-[(2S)-butan-2-yl]-2-oxo-6-propyl-1H-pyridine-3-carboxamide

C13H19BrN2O2 — CID 125490367

IUPAC5-bromo-N-[(2S)-butan-2-yl]-2-oxo-6-propyl-1H-pyridine-3-carboxamide
SMILESCCCc1[nH]c(=O)c(C(=O)N[C@@H](C)CC)cc1Br
InChIInChI=1S/C13H19BrN2O2/c1-4-6-11-10(14)7-9(13(18)16-11)12(17)15-8(3)5-2/h7-8H,4-6H2,1-3H3,(H,15,17)(H,16,18)/t8-/m0/s1
InChIKeyBHTUCARDXPHBQW-QMMMGPOBSA-N
MW315.21 g/mol
LogP2.62
Rot. Bonds5

About 5-bromo-N-[(2S)-butan-2-yl]-2-oxo-6-propyl-1H-pyridine-3-carboxamide

5-bromo-N-[(2S)-butan-2-yl]-2-oxo-6-propyl-1H-pyridine-3-carboxamide (PubChem CID 125490367) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 5-bromo-N-[(2S)-butan-2-yl]-2-oxo-6-propyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2S)-butan-2-yl]-2-oxo-6-propyl-1H-pyridine-3-carboxamide
PubChem CID125490367
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name5-bromo-N-[(2S)-butan-2-yl]-2-oxo-6-propyl-1H-pyridine-3-carboxamide
SMILESCCCc1[nH]c(=O)c(C(=O)N[C@@H](C)CC)cc1Br
InChIInChI=1S/C13H19BrN2O2/c1-4-6-11-10(14)7-9(13(18)16-11)12(17)15-8(3)5-2/h7-8H,4-6H2,1-3H3,(H,15,17)(H,16,18)/t8-/m0/s1
InChIKeyBHTUCARDXPHBQW-QMMMGPOBSA-N
XLogP2.62
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-6-ethyl-N-[(2R)-4-methylpentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 125490531
N-[(2S)-heptan-2-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125491124
6-ethyl-5-iodo-2-oxo-N-[(2R)-pentan-2-yl]-1H-pyridine-3-carboxamide
CID 125491217
5-bromo-6-methyl-N-[(2R)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 125490373
N-butan-2-yl-5-chloro-2-oxo-1H-pyridine-3-carboxamide
CID 110848497
6-ethyl-2-oxo-N-pentan-3-yl-5-propyl-1H-pyridine-3-carboxamide
CID 125490211
5-chloro-6-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1H-pyridine-3-carboxamide
CID 125490940
N-[(3S)-heptan-3-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125491426
5-bromo-6-methyl-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 99697750
6-ethyl-N-[(2S)-heptan-2-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125490976
5-bromo-6-ethyl-N-(2-methoxyethyl)-2-oxo-1H-pyridine-3-carboxamide
CID 125491067
6-methyl-N-[(2R)-octan-2-yl]-2-oxo-5-propyl-1H-pyridine-3-carboxamide
CID 125490774

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2S)-butan-2-yl]-2-oxo-6-propyl-1H-pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(2S)-butan-2-yl]-2-oxo-6-propyl-1H-pyridine-3-carboxamide (CID 125490367) is 5-bromo-N-[(2S)-butan-2-yl]-2-oxo-6-propyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2S)-butan-2-yl]-2-oxo-6-propyl-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(2S)-butan-2-yl]-2-oxo-6-propyl-1H-pyridine-3-carboxamide is CCCc1[nH]c(=O)c(C(=O)N[C@@H](C)CC)cc1Br.
What is the InChIKey of 5-bromo-N-[(2S)-butan-2-yl]-2-oxo-6-propyl-1H-pyridine-3-carboxamide?
The InChIKey is BHTUCARDXPHBQW-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-4-6-11-10(14)7-9(13(18)16-11)12(17)15-8(3)5-2/h7-8H,4-6H2,1-3H3,(H,15,17)(H,16,18)/t8-/m0/s1.
What are the key properties of 5-bromo-N-[(2S)-butan-2-yl]-2-oxo-6-propyl-1H-pyridine-3-carboxamide?
5-bromo-N-[(2S)-butan-2-yl]-2-oxo-6-propyl-1H-pyridine-3-carboxamide has a molecular weight of 315.21 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2S)-butan-2-yl]-2-oxo-6-propyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 125490367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).