N-(2-ethylbutyl)-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide

C16H26N2O2 — CID 125490566

IUPACN-(2-ethylbutyl)-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide
SMILESCCCc1[nH]c(=O)c(C(=O)NCC(CC)CC)cc1C
InChIInChI=1S/C16H26N2O2/c1-5-8-14-11(4)9-13(16(20)18-14)15(19)17-10-12(6-2)7-3/h9,12H,5-8,10H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyITYYRXBGBAUNLR-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.80
Rot. Bonds7

About N-(2-ethylbutyl)-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide

N-(2-ethylbutyl)-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide (PubChem CID 125490566) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(2-ethylbutyl)-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide
PubChem CID125490566
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(2-ethylbutyl)-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide
SMILESCCCc1[nH]c(=O)c(C(=O)NCC(CC)CC)cc1C
InChIInChI=1S/C16H26N2O2/c1-5-8-14-11(4)9-13(16(20)18-14)15(19)17-10-12(6-2)7-3/h9,12H,5-8,10H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyITYYRXBGBAUNLR-UHFFFAOYSA-N
XLogP2.80
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-N-(2-ethylbutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125491131
N-[(3S)-heptan-3-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125491426
N-(2-ethylbutyl)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125491354
N-[(2S)-heptan-2-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125491124
6-methyl-N-[(2R)-2-methylbutyl]-2-oxo-5-propyl-1H-pyridine-3-carboxamide
CID 125491181
2-[(5-iodo-2-oxo-6-propyl-1H-pyridine-3-carbonyl)amino]acetic acid
CID 125473206
6-ethyl-N-[(3S)-heptan-3-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125490592
5-bromo-N-[(2S)-butan-2-yl]-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125490367
6-ethyl-5-iodo-N-[(2R)-2-methylbutyl]-2-oxo-1H-pyridine-3-carboxamide
CID 125491326
N-(2-ethylbutyl)-4-fluoro-2-methylbenzamide
CID 115745580
6-ethyl-N-[(2S)-heptan-2-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125490976
N-(3-ethoxypropyl)-6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125490909

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-ethylbutyl)-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide (CID 125490566) is N-(2-ethylbutyl)-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethylbutyl)-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-ethylbutyl)-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide is CCCc1[nH]c(=O)c(C(=O)NCC(CC)CC)cc1C.
What is the InChIKey of N-(2-ethylbutyl)-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide?
The InChIKey is ITYYRXBGBAUNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-8-14-11(4)9-13(16(20)18-14)15(19)17-10-12(6-2)7-3/h9,12H,5-8,10H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of N-(2-ethylbutyl)-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide?
N-(2-ethylbutyl)-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 125490566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).