N'-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-N-ethyloxamide

C12H18N4O2 — CID 139341058

IUPACN'-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-N-ethyloxamide
SMILESCCNC(=O)C(=O)NCc1c(C)cc(N)nc1C
InChIInChI=1S/C12H18N4O2/c1-4-14-11(17)12(18)15-6-9-7(2)5-10(13)16-8(9)3/h5H,4,6H2,1-3H3,(H2,13,16)(H,14,17)(H,15,18)
InChIKeyYQWPFJXAGVCYKJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.03
Rot. Bonds3

About N'-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-N-ethyloxamide

N'-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-N-ethyloxamide (PubChem CID 139341058) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-N-ethyloxamide.

Molecular Properties

Compound NameN'-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-N-ethyloxamide
PubChem CID139341058
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN'-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-N-ethyloxamide
SMILESCCNC(=O)C(=O)NCc1c(C)cc(N)nc1C
InChIInChI=1S/C12H18N4O2/c1-4-14-11(17)12(18)15-6-9-7(2)5-10(13)16-8(9)3/h5H,4,6H2,1-3H3,(H2,13,16)(H,14,17)(H,15,18)
InChIKeyYQWPFJXAGVCYKJ-UHFFFAOYSA-N
XLogP0.03
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-N-ethyloxamide?
The IUPAC name of N'-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-N-ethyloxamide (CID 139341058) is N'-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-N-ethyloxamide.
What is the SMILES notation for N'-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-N-ethyloxamide?
The canonical SMILES for N'-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-N-ethyloxamide is CCNC(=O)C(=O)NCc1c(C)cc(N)nc1C.
What is the InChIKey of N'-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-N-ethyloxamide?
The InChIKey is YQWPFJXAGVCYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-4-14-11(17)12(18)15-6-9-7(2)5-10(13)16-8(9)3/h5H,4,6H2,1-3H3,(H2,13,16)(H,14,17)(H,15,18).
What are the key properties of N'-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-N-ethyloxamide?
N'-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-N-ethyloxamide has a molecular weight of 250.30 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-N-ethyloxamide is sourced from PubChem (CID 139341058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).