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

C17H23N3O3 — CID 45498223

IUPACN-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]cyclopropanecarboxamide
SMILESCn1cc(C(=O)N2CCCCCC2)cc(NC(=O)C2CC2)c1=O
InChIInChI=1S/C17H23N3O3/c1-19-11-13(16(22)20-8-4-2-3-5-9-20)10-14(17(19)23)18-15(21)12-6-7-12/h10-12H,2-9H2,1H3,(H,18,21)
InChIKeyKYGKFVLNPMZRTD-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.75
Rot. Bonds3

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

N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 45498223) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]cyclopropanecarboxamide
PubChem CID45498223
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]cyclopropanecarboxamide
SMILESCn1cc(C(=O)N2CCCCCC2)cc(NC(=O)C2CC2)c1=O
InChIInChI=1S/C17H23N3O3/c1-19-11-13(16(22)20-8-4-2-3-5-9-20)10-14(17(19)23)18-15(21)12-6-7-12/h10-12H,2-9H2,1H3,(H,18,21)
InChIKeyKYGKFVLNPMZRTD-UHFFFAOYSA-N
XLogP1.75
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.75
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]cyclopropanecarboxamide?
The IUPAC name of N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]cyclopropanecarboxamide (CID 45498223) is N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]cyclopropanecarboxamide is Cn1cc(C(=O)N2CCCCCC2)cc(NC(=O)C2CC2)c1=O.
What is the InChIKey of N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]cyclopropanecarboxamide?
The InChIKey is KYGKFVLNPMZRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-19-11-13(16(22)20-8-4-2-3-5-9-20)10-14(17(19)23)18-15(21)12-6-7-12/h10-12H,2-9H2,1H3,(H,18,21).
What are the key properties of N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]cyclopropanecarboxamide?
N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.75, 3 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]cyclopropanecarboxamide is sourced from PubChem (CID 45498223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).