N-[(2-chloro-1-ethyl-6-methyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide

C14H21ClN2O2 — CID 118544258

IUPACN-[(2-chloro-1-ethyl-6-methyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide
SMILESCCn1c(C)cc(=O)c(CNC(=O)C(C)(C)C)c1Cl
InChIInChI=1S/C14H21ClN2O2/c1-6-17-9(2)7-11(18)10(12(17)15)8-16-13(19)14(3,4)5/h7H,6,8H2,1-5H3,(H,16,19)
InChIKeyRDNMSWMQPPYYMS-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.49
Rot. Bonds3

About N-[(2-chloro-1-ethyl-6-methyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide

N-[(2-chloro-1-ethyl-6-methyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide (PubChem CID 118544258) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-[(2-chloro-1-ethyl-6-methyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2-chloro-1-ethyl-6-methyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide
PubChem CID118544258
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-[(2-chloro-1-ethyl-6-methyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide
SMILESCCn1c(C)cc(=O)c(CNC(=O)C(C)(C)C)c1Cl
InChIInChI=1S/C14H21ClN2O2/c1-6-17-9(2)7-11(18)10(12(17)15)8-16-13(19)14(3,4)5/h7H,6,8H2,1-5H3,(H,16,19)
InChIKeyRDNMSWMQPPYYMS-UHFFFAOYSA-N
XLogP2.49
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.49
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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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1-ethyl-6-methyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2-chloro-1-ethyl-6-methyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide (CID 118544258) is N-[(2-chloro-1-ethyl-6-methyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2-chloro-1-ethyl-6-methyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2-chloro-1-ethyl-6-methyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide is CCn1c(C)cc(=O)c(CNC(=O)C(C)(C)C)c1Cl.
What is the InChIKey of N-[(2-chloro-1-ethyl-6-methyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide?
The InChIKey is RDNMSWMQPPYYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-6-17-9(2)7-11(18)10(12(17)15)8-16-13(19)14(3,4)5/h7H,6,8H2,1-5H3,(H,16,19).
What are the key properties of N-[(2-chloro-1-ethyl-6-methyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide?
N-[(2-chloro-1-ethyl-6-methyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide has a molecular weight of 284.79 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1-ethyl-6-methyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 118544258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).