N-(2-chloro-5-methyl-3-pyridinyl)-4-methoxy-3-methylbutanamide

C12H17ClN2O2 — CID 102979772

IUPACN-(2-chloro-5-methyl-3-pyridinyl)-4-methoxy-3-methylbutanamide
SMILESCOCC(C)CC(=O)Nc1cc(C)cnc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-8-4-10(12(13)14-6-8)15-11(16)5-9(2)7-17-3/h4,6,9H,5,7H2,1-3H3,(H,15,16)
InChIKeyRPOVDSGBXKGBHO-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.65
Rot. Bonds5

About N-(2-chloro-5-methyl-3-pyridinyl)-4-methoxy-3-methylbutanamide

N-(2-chloro-5-methyl-3-pyridinyl)-4-methoxy-3-methylbutanamide (PubChem CID 102979772) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is N-(2-chloro-5-methyl-3-pyridinyl)-4-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-chloro-5-methyl-3-pyridinyl)-4-methoxy-3-methylbutanamide
PubChem CID102979772
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC NameN-(2-chloro-5-methyl-3-pyridinyl)-4-methoxy-3-methylbutanamide
SMILESCOCC(C)CC(=O)Nc1cc(C)cnc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-8-4-10(12(13)14-6-8)15-11(16)5-9(2)7-17-3/h4,6,9H,5,7H2,1-3H3,(H,15,16)
InChIKeyRPOVDSGBXKGBHO-UHFFFAOYSA-N
XLogP2.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-3-pyridinyl)-2-phenylbutanamide
CID 11839529
N-(2-chloropyridin-3-yl)-3-phenylpropanamide
CID 931231
N-(2-chloropyridin-3-yl)butanamide
CID 836741
1-{2-[(2-Chloropyridin-3-yl)amino]-2-oxoethyl}piperidine-4-carboxamide
CID 1511517
N-(2-chloro-3-pyridinyl)-4-phenylbutanamide
CID 838087
2-(5-chloropyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide
CID 156907218
N-(2-chloropyridin-3-yl)acetamide
CID 4338791
N-(6-chloro-3-pyridinyl)-2,2-dimethylbutanamide
CID 60255464
N-(2-chloropyridin-3-yl)-3-oxobutanamide
CID 18072692
(2R)-2-(5-chloropyridin-3-yl)-N-(4-methylpyridin-3-yl)propanamide
CID 169408209
N-(2-chloro-3-pyridinyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 16252514
N-(6-Chloropyridin-3-YL)pivalamide
CID 15592370

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methyl-3-pyridinyl)-4-methoxy-3-methylbutanamide?
The IUPAC name of N-(2-chloro-5-methyl-3-pyridinyl)-4-methoxy-3-methylbutanamide (CID 102979772) is N-(2-chloro-5-methyl-3-pyridinyl)-4-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(2-chloro-5-methyl-3-pyridinyl)-4-methoxy-3-methylbutanamide?
The canonical SMILES for N-(2-chloro-5-methyl-3-pyridinyl)-4-methoxy-3-methylbutanamide is COCC(C)CC(=O)Nc1cc(C)cnc1Cl.
What is the InChIKey of N-(2-chloro-5-methyl-3-pyridinyl)-4-methoxy-3-methylbutanamide?
The InChIKey is RPOVDSGBXKGBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-8-4-10(12(13)14-6-8)15-11(16)5-9(2)7-17-3/h4,6,9H,5,7H2,1-3H3,(H,15,16).
What are the key properties of N-(2-chloro-5-methyl-3-pyridinyl)-4-methoxy-3-methylbutanamide?
N-(2-chloro-5-methyl-3-pyridinyl)-4-methoxy-3-methylbutanamide has a molecular weight of 256.73 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methyl-3-pyridinyl)-4-methoxy-3-methylbutanamide is sourced from PubChem (CID 102979772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).