2-[methyl-[(6-oxo-1H-pyridin-2-yl)methyl]amino]acetamide

C9H13N3O2 — CID 58786299

IUPAC2-[methyl-[(6-oxo-1H-pyridin-2-yl)methyl]amino]acetamide
SMILESCN(CC(N)=O)Cc1cccc(=O)[nH]1
InChIInChI=1S/C9H13N3O2/c1-12(6-8(10)13)5-7-3-2-4-9(14)11-7/h2-4H,5-6H2,1H3,(H2,10,13)(H,11,14)
InChIKeyVTINBXRFUGROKY-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.71
Rot. Bonds4

About 2-[methyl-[(6-oxo-1H-pyridin-2-yl)methyl]amino]acetamide

2-[methyl-[(6-oxo-1H-pyridin-2-yl)methyl]amino]acetamide (PubChem CID 58786299) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[methyl-[(6-oxo-1H-pyridin-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound Name2-[methyl-[(6-oxo-1H-pyridin-2-yl)methyl]amino]acetamide
PubChem CID58786299
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-[methyl-[(6-oxo-1H-pyridin-2-yl)methyl]amino]acetamide
SMILESCN(CC(N)=O)Cc1cccc(=O)[nH]1
InChIInChI=1S/C9H13N3O2/c1-12(6-8(10)13)5-7-3-2-4-9(14)11-7/h2-4H,5-6H2,1H3,(H2,10,13)(H,11,14)
InChIKeyVTINBXRFUGROKY-UHFFFAOYSA-N
XLogP-0.71
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(6-oxo-1H-pyridin-2-yl)methyl]amino]acetamide?
The IUPAC name of 2-[methyl-[(6-oxo-1H-pyridin-2-yl)methyl]amino]acetamide (CID 58786299) is 2-[methyl-[(6-oxo-1H-pyridin-2-yl)methyl]amino]acetamide.
What is the SMILES notation for 2-[methyl-[(6-oxo-1H-pyridin-2-yl)methyl]amino]acetamide?
The canonical SMILES for 2-[methyl-[(6-oxo-1H-pyridin-2-yl)methyl]amino]acetamide is CN(CC(N)=O)Cc1cccc(=O)[nH]1.
What is the InChIKey of 2-[methyl-[(6-oxo-1H-pyridin-2-yl)methyl]amino]acetamide?
The InChIKey is VTINBXRFUGROKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-12(6-8(10)13)5-7-3-2-4-9(14)11-7/h2-4H,5-6H2,1H3,(H2,10,13)(H,11,14).
What are the key properties of 2-[methyl-[(6-oxo-1H-pyridin-2-yl)methyl]amino]acetamide?
2-[methyl-[(6-oxo-1H-pyridin-2-yl)methyl]amino]acetamide has a molecular weight of 195.22 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(6-oxo-1H-pyridin-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 58786299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).