N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]-2,2-dimethylpropanamide

C18H27N3O3 — CID 45498221

IUPACN-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCn1cc(C(=O)N2CCCCCC2)cc(NC(=O)C(C)(C)C)c1=O
InChIInChI=1S/C18H27N3O3/c1-18(2,3)17(24)19-14-11-13(12-20(4)16(14)23)15(22)21-9-7-5-6-8-10-21/h11-12H,5-10H2,1-4H3,(H,19,24)
InChIKeyQRCFNVLWLFRVQC-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.39
Rot. Bonds2

About N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]-2,2-dimethylpropanamide

N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 45498221) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]-2,2-dimethylpropanamide
PubChem CID45498221
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCn1cc(C(=O)N2CCCCCC2)cc(NC(=O)C(C)(C)C)c1=O
InChIInChI=1S/C18H27N3O3/c1-18(2,3)17(24)19-14-11-13(12-20(4)16(14)23)15(22)21-9-7-5-6-8-10-21/h11-12H,5-10H2,1-4H3,(H,19,24)
InChIKeyQRCFNVLWLFRVQC-UHFFFAOYSA-N
XLogP2.39
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]-2,2-dimethylpropanamide (CID 45498221) is N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]-2,2-dimethylpropanamide is Cn1cc(C(=O)N2CCCCCC2)cc(NC(=O)C(C)(C)C)c1=O.
What is the InChIKey of N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is QRCFNVLWLFRVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-18(2,3)17(24)19-14-11-13(12-20(4)16(14)23)15(22)21-9-7-5-6-8-10-21/h11-12H,5-10H2,1-4H3,(H,19,24).
What are the key properties of N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]-2,2-dimethylpropanamide?
N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 333.43 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 45498221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).