4-chloro-N-(1-methyl-6-oxo-3-pyridinyl)butanamide

C10H13ClN2O2 — CID 63307637

IUPAC4-chloro-N-(1-methyl-6-oxo-3-pyridinyl)butanamide
SMILESCn1cc(NC(=O)CCCCl)ccc1=O
InChIInChI=1S/C10H13ClN2O2/c1-13-7-8(4-5-10(13)15)12-9(14)3-2-6-11/h4-5,7H,2-3,6H2,1H3,(H,12,14)
InChIKeyBDQCVPGASAITSS-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.34
Rot. Bonds4

About 4-chloro-N-(1-methyl-6-oxo-3-pyridinyl)butanamide

4-chloro-N-(1-methyl-6-oxo-3-pyridinyl)butanamide (PubChem CID 63307637) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-chloro-N-(1-methyl-6-oxo-3-pyridinyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(1-methyl-6-oxo-3-pyridinyl)butanamide
PubChem CID63307637
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name4-chloro-N-(1-methyl-6-oxo-3-pyridinyl)butanamide
SMILESCn1cc(NC(=O)CCCCl)ccc1=O
InChIInChI=1S/C10H13ClN2O2/c1-13-7-8(4-5-10(13)15)12-9(14)3-2-6-11/h4-5,7H,2-3,6H2,1H3,(H,12,14)
InChIKeyBDQCVPGASAITSS-UHFFFAOYSA-N
XLogP1.34
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)butanamide
CID 63307672
6-amino-N-(1-methyl-6-oxo-3-pyridinyl)hexanamide
CID 54863045
4-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]butanamide
CID 63307515
N-(1-methyl-6-oxo-3-pyridinyl)-3-(4-methylphenyl)propanamide
CID 110725063
3-(2-aminophenoxy)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 61103909
3-(2-fluorophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 47067445
N-(1-methyl-6-oxo-3-pyridinyl)-2-propan-2-yloxyacetamide
CID 112686884
2-(4-chlorophenyl)sulfanyl-N-(1-methyl-6-oxo-3-pyridinyl)acetamide
CID 75416497
2-cyclopentyl-N-(1-methyl-6-oxo-3-pyridinyl)acetamide
CID 47341844
N-(1-methyl-6-oxo-3-pyridinyl)-3,3-diphenylpropanamide
CID 75461898
3-(3-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 80700526
4-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide
CID 106909816

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-methyl-6-oxo-3-pyridinyl)butanamide?
The IUPAC name of 4-chloro-N-(1-methyl-6-oxo-3-pyridinyl)butanamide (CID 63307637) is 4-chloro-N-(1-methyl-6-oxo-3-pyridinyl)butanamide.
What is the SMILES notation for 4-chloro-N-(1-methyl-6-oxo-3-pyridinyl)butanamide?
The canonical SMILES for 4-chloro-N-(1-methyl-6-oxo-3-pyridinyl)butanamide is Cn1cc(NC(=O)CCCCl)ccc1=O.
What is the InChIKey of 4-chloro-N-(1-methyl-6-oxo-3-pyridinyl)butanamide?
The InChIKey is BDQCVPGASAITSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-13-7-8(4-5-10(13)15)12-9(14)3-2-6-11/h4-5,7H,2-3,6H2,1H3,(H,12,14).
What are the key properties of 4-chloro-N-(1-methyl-6-oxo-3-pyridinyl)butanamide?
4-chloro-N-(1-methyl-6-oxo-3-pyridinyl)butanamide has a molecular weight of 228.68 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-methyl-6-oxo-3-pyridinyl)butanamide is sourced from PubChem (CID 63307637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).