N-(2-cyanobutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide

C11H13N3O2 — CID 103764912

IUPACN-(2-cyanobutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
SMILESCCC(C)(C#N)NC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C11H13N3O2/c1-3-11(2,7-12)14-10(16)8-4-5-13-9(15)6-8/h4-6H,3H2,1-2H3,(H,13,15)(H,14,16)
InChIKeySAGUZDDQXSNBKB-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.80
Rot. Bonds3

About N-(2-cyanobutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide

N-(2-cyanobutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 103764912) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-(2-cyanobutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanobutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
PubChem CID103764912
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-(2-cyanobutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
SMILESCCC(C)(C#N)NC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C11H13N3O2/c1-3-11(2,7-12)14-10(16)8-4-5-13-9(15)6-8/h4-6H,3H2,1-2H3,(H,13,15)(H,14,16)
InChIKeySAGUZDDQXSNBKB-UHFFFAOYSA-N
XLogP0.80
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide
CID 104630036
3,4-dichloro-N-(2-cyanobutan-2-yl)benzamide
CID 51089519
N-(2-cyanobutan-2-yl)-3-methylbenzamide
CID 51089539
N-(2-cyanobutan-2-yl)-4-ethylbenzamide
CID 51089526
4-bromo-3-chloro-N-(2-cyanobutan-2-yl)benzamide
CID 80998085
N-(2-cyanobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 62401437
N-(2-cyanobutan-2-yl)-3-fluoro-5-methylbenzamide
CID 113244762
methyl 2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoate
CID 113257157
3-chloro-N-(2-cyanobutan-2-yl)-4-nitrobenzamide
CID 103873377
N-(2-cyanobutan-2-yl)-3,4,5-trimethoxybenzamide
CID 51089527
N-(2-cyanobutan-2-yl)-4-methoxy-3-nitrobenzamide
CID 61119589
2,5-dichloro-N-(2-cyanobutan-2-yl)benzamide
CID 51089510

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanobutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-(2-cyanobutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide (CID 103764912) is N-(2-cyanobutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(2-cyanobutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(2-cyanobutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide is CCC(C)(C#N)NC(=O)c1cc[nH]c(=O)c1.
What is the InChIKey of N-(2-cyanobutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is SAGUZDDQXSNBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-3-11(2,7-12)14-10(16)8-4-5-13-9(15)6-8/h4-6H,3H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-(2-cyanobutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide?
N-(2-cyanobutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanobutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 103764912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).