N-(6-butyl-2-oxo-1H-pyridin-3-yl)-N,2-dimethylpropanamide

C14H22N2O2 — CID 19012345

IUPACN-(6-butyl-2-oxo-1H-pyridin-3-yl)-N,2-dimethylpropanamide
SMILESCCCCc1ccc(N(C)C(=O)C(C)C)c(=O)[nH]1
InChIInChI=1S/C14H22N2O2/c1-5-6-7-11-8-9-12(13(17)15-11)16(4)14(18)10(2)3/h8-10H,5-7H2,1-4H3,(H,15,17)
InChIKeyOINQZXYZPFSESK-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.34
Rot. Bonds5

About N-(6-butyl-2-oxo-1H-pyridin-3-yl)-N,2-dimethylpropanamide

N-(6-butyl-2-oxo-1H-pyridin-3-yl)-N,2-dimethylpropanamide (PubChem CID 19012345) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(6-butyl-2-oxo-1H-pyridin-3-yl)-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(6-butyl-2-oxo-1H-pyridin-3-yl)-N,2-dimethylpropanamide
PubChem CID19012345
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(6-butyl-2-oxo-1H-pyridin-3-yl)-N,2-dimethylpropanamide
SMILESCCCCc1ccc(N(C)C(=O)C(C)C)c(=O)[nH]1
InChIInChI=1S/C14H22N2O2/c1-5-6-7-11-8-9-12(13(17)15-11)16(4)14(18)10(2)3/h8-10H,5-7H2,1-4H3,(H,15,17)
InChIKeyOINQZXYZPFSESK-UHFFFAOYSA-N
XLogP2.34
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-butyl-2-oxo-1H-pyridin-3-yl)-N,2-dimethylpropanamide?
The IUPAC name of N-(6-butyl-2-oxo-1H-pyridin-3-yl)-N,2-dimethylpropanamide (CID 19012345) is N-(6-butyl-2-oxo-1H-pyridin-3-yl)-N,2-dimethylpropanamide.
What is the SMILES notation for N-(6-butyl-2-oxo-1H-pyridin-3-yl)-N,2-dimethylpropanamide?
The canonical SMILES for N-(6-butyl-2-oxo-1H-pyridin-3-yl)-N,2-dimethylpropanamide is CCCCc1ccc(N(C)C(=O)C(C)C)c(=O)[nH]1.
What is the InChIKey of N-(6-butyl-2-oxo-1H-pyridin-3-yl)-N,2-dimethylpropanamide?
The InChIKey is OINQZXYZPFSESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-6-7-11-8-9-12(13(17)15-11)16(4)14(18)10(2)3/h8-10H,5-7H2,1-4H3,(H,15,17).
What are the key properties of N-(6-butyl-2-oxo-1H-pyridin-3-yl)-N,2-dimethylpropanamide?
N-(6-butyl-2-oxo-1H-pyridin-3-yl)-N,2-dimethylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-butyl-2-oxo-1H-pyridin-3-yl)-N,2-dimethylpropanamide is sourced from PubChem (CID 19012345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).