N-[(4-methyl-3-pyridinyl)methyl]-2-morpholin-3-ylacetamide

C13H19N3O2 — CID 114956082

IUPACN-[(4-methyl-3-pyridinyl)methyl]-2-morpholin-3-ylacetamide
SMILESCc1ccncc1CNC(=O)CC1COCCN1
InChIInChI=1S/C13H19N3O2/c1-10-2-3-14-7-11(10)8-16-13(17)6-12-9-18-5-4-15-12/h2-3,7,12,15H,4-6,8-9H2,1H3,(H,16,17)
InChIKeyQVWNHGHRHVWQEA-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.38
Rot. Bonds4

About N-[(4-methyl-3-pyridinyl)methyl]-2-morpholin-3-ylacetamide

N-[(4-methyl-3-pyridinyl)methyl]-2-morpholin-3-ylacetamide (PubChem CID 114956082) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(4-methyl-3-pyridinyl)methyl]-2-morpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[(4-methyl-3-pyridinyl)methyl]-2-morpholin-3-ylacetamide
PubChem CID114956082
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[(4-methyl-3-pyridinyl)methyl]-2-morpholin-3-ylacetamide
SMILESCc1ccncc1CNC(=O)CC1COCCN1
InChIInChI=1S/C13H19N3O2/c1-10-2-3-14-7-11(10)8-16-13(17)6-12-9-18-5-4-15-12/h2-3,7,12,15H,4-6,8-9H2,1H3,(H,16,17)
InChIKeyQVWNHGHRHVWQEA-UHFFFAOYSA-N
XLogP0.38
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-2-morpholin-3-ylacetamide?
The IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-2-morpholin-3-ylacetamide (CID 114956082) is N-[(4-methyl-3-pyridinyl)methyl]-2-morpholin-3-ylacetamide.
What is the SMILES notation for N-[(4-methyl-3-pyridinyl)methyl]-2-morpholin-3-ylacetamide?
The canonical SMILES for N-[(4-methyl-3-pyridinyl)methyl]-2-morpholin-3-ylacetamide is Cc1ccncc1CNC(=O)CC1COCCN1.
What is the InChIKey of N-[(4-methyl-3-pyridinyl)methyl]-2-morpholin-3-ylacetamide?
The InChIKey is QVWNHGHRHVWQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-2-3-14-7-11(10)8-16-13(17)6-12-9-18-5-4-15-12/h2-3,7,12,15H,4-6,8-9H2,1H3,(H,16,17).
What are the key properties of N-[(4-methyl-3-pyridinyl)methyl]-2-morpholin-3-ylacetamide?
N-[(4-methyl-3-pyridinyl)methyl]-2-morpholin-3-ylacetamide has a molecular weight of 249.31 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-3-pyridinyl)methyl]-2-morpholin-3-ylacetamide is sourced from PubChem (CID 114956082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).