2-[(5-formyl-2-pyridinyl)-methylamino]acetamide

C9H11N3O2 — CID 80637138

IUPAC2-[(5-formyl-2-pyridinyl)-methylamino]acetamide
SMILESCN(CC(N)=O)c1ccc(C=O)cn1
InChIInChI=1S/C9H11N3O2/c1-12(5-8(10)14)9-3-2-7(6-13)4-11-9/h2-4,6H,5H2,1H3,(H2,10,14)
InChIKeyQQBMMDYFGGNWDP-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.18
Rot. Bonds4

About 2-[(5-formyl-2-pyridinyl)-methylamino]acetamide

2-[(5-formyl-2-pyridinyl)-methylamino]acetamide (PubChem CID 80637138) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-[(5-formyl-2-pyridinyl)-methylamino]acetamide.

Molecular Properties

Compound Name2-[(5-formyl-2-pyridinyl)-methylamino]acetamide
PubChem CID80637138
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-[(5-formyl-2-pyridinyl)-methylamino]acetamide
SMILESCN(CC(N)=O)c1ccc(C=O)cn1
InChIInChI=1S/C9H11N3O2/c1-12(5-8(10)14)9-3-2-7(6-13)4-11-9/h2-4,6H,5H2,1H3,(H2,10,14)
InChIKeyQQBMMDYFGGNWDP-UHFFFAOYSA-N
XLogP-0.18
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[(5-formyl-2-pyridinyl)-methylamino]-N-methylacetamide
CID 80637307
6-[ethyl(methyl)amino]pyridine-3-carbaldehyde
CID 76848692
2-[[5-(hydroxymethyl)-2-pyridinyl]-methylamino]acetamide
CID 80632785
2-[(5-carbamothioyl-2-pyridinyl)-methylamino]acetamide
CID 43374278
2-[methyl-[5-(methylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80630822
2-[(5-formyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 80638047
6-[methyl(3-methylbutan-2-yl)amino]pyridine-3-carbaldehyde
CID 80636962
6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridine-3-carbaldehyde
CID 80637621
2-[methyl-(4-methyl-2-pyridinyl)amino]acetamide
CID 130650937
6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-3-carbaldehyde
CID 80632585
6-[(3-chlorophenyl)methyl-methylamino]pyridine-3-carbaldehyde
CID 80638202
6-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbaldehyde
CID 102632652

Frequently Asked Questions

What is the IUPAC name of 2-[(5-formyl-2-pyridinyl)-methylamino]acetamide?
The IUPAC name of 2-[(5-formyl-2-pyridinyl)-methylamino]acetamide (CID 80637138) is 2-[(5-formyl-2-pyridinyl)-methylamino]acetamide.
What is the SMILES notation for 2-[(5-formyl-2-pyridinyl)-methylamino]acetamide?
The canonical SMILES for 2-[(5-formyl-2-pyridinyl)-methylamino]acetamide is CN(CC(N)=O)c1ccc(C=O)cn1.
What is the InChIKey of 2-[(5-formyl-2-pyridinyl)-methylamino]acetamide?
The InChIKey is QQBMMDYFGGNWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-12(5-8(10)14)9-3-2-7(6-13)4-11-9/h2-4,6H,5H2,1H3,(H2,10,14).
What are the key properties of 2-[(5-formyl-2-pyridinyl)-methylamino]acetamide?
2-[(5-formyl-2-pyridinyl)-methylamino]acetamide has a molecular weight of 193.21 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-formyl-2-pyridinyl)-methylamino]acetamide is sourced from PubChem (CID 80637138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).