3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzamide

C15H17N3O2 — CID 63277077

IUPAC3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzamide
SMILESCCn1cc(NCc2cccc(C(N)=O)c2)ccc1=O
InChIInChI=1S/C15H17N3O2/c1-2-18-10-13(6-7-14(18)19)17-9-11-4-3-5-12(8-11)15(16)20/h3-8,10,17H,2,9H2,1H3,(H2,16,20)
InChIKeyPZGVOLOQZKSNOR-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.58
Rot. Bonds5

About 3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzamide

3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzamide (PubChem CID 63277077) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzamide
PubChem CID63277077
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzamide
SMILESCCn1cc(NCc2cccc(C(N)=O)c2)ccc1=O
InChIInChI=1S/C15H17N3O2/c1-2-18-10-13(6-7-14(18)19)17-9-11-4-3-5-12(8-11)15(16)20/h3-8,10,17H,2,9H2,1H3,(H2,16,20)
InChIKeyPZGVOLOQZKSNOR-UHFFFAOYSA-N
XLogP1.58
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzamide?
The IUPAC name of 3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzamide (CID 63277077) is 3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzamide.
What is the SMILES notation for 3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzamide?
The canonical SMILES for 3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzamide is CCn1cc(NCc2cccc(C(N)=O)c2)ccc1=O.
What is the InChIKey of 3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzamide?
The InChIKey is PZGVOLOQZKSNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-18-10-13(6-7-14(18)19)17-9-11-4-3-5-12(8-11)15(16)20/h3-8,10,17H,2,9H2,1H3,(H2,16,20).
What are the key properties of 3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzamide?
3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzamide has a molecular weight of 271.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzamide is sourced from PubChem (CID 63277077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).