2-(2,2-dimethylmorpholin-4-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide

C15H22N4O3 — CID 167139818

IUPAC2-(2,2-dimethylmorpholin-4-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide
SMILESCc1ncc(NC(=O)CN2CCOC(C)(C)C2)cc1NC=O
InChIInChI=1S/C15H22N4O3/c1-11-13(17-10-20)6-12(7-16-11)18-14(21)8-19-4-5-22-15(2,3)9-19/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyVIILDQKIILDBGF-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.01
Rot. Bonds5

About 2-(2,2-dimethylmorpholin-4-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide

2-(2,2-dimethylmorpholin-4-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide (PubChem CID 167139818) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(2,2-dimethylmorpholin-4-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2,2-dimethylmorpholin-4-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide
PubChem CID167139818
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name2-(2,2-dimethylmorpholin-4-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide
SMILESCc1ncc(NC(=O)CN2CCOC(C)(C)C2)cc1NC=O
InChIInChI=1S/C15H22N4O3/c1-11-13(17-10-20)6-12(7-16-11)18-14(21)8-19-4-5-22-15(2,3)9-19/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyVIILDQKIILDBGF-UHFFFAOYSA-N
XLogP1.01
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide?
The IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide (CID 167139818) is 2-(2,2-dimethylmorpholin-4-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(2,2-dimethylmorpholin-4-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(2,2-dimethylmorpholin-4-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide is Cc1ncc(NC(=O)CN2CCOC(C)(C)C2)cc1NC=O.
What is the InChIKey of 2-(2,2-dimethylmorpholin-4-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide?
The InChIKey is VIILDQKIILDBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-11-13(17-10-20)6-12(7-16-11)18-14(21)8-19-4-5-22-15(2,3)9-19/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of 2-(2,2-dimethylmorpholin-4-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide?
2-(2,2-dimethylmorpholin-4-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide has a molecular weight of 306.37 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylmorpholin-4-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 167139818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).