N-(2-acetamidoethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide

C15H22N4O3 — CID 126472029

IUPACN-(2-acetamidoethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide
SMILESCC(=O)NCCNC(=O)c1ccc(C)nc1N1CCOCC1
InChIInChI=1S/C15H22N4O3/c1-11-3-4-13(15(21)17-6-5-16-12(2)20)14(18-11)19-7-9-22-10-8-19/h3-4H,5-10H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyJRZRPMFRLVSLSD-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.09
Rot. Bonds5

About N-(2-acetamidoethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide

N-(2-acetamidoethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 126472029) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide
PubChem CID126472029
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-(2-acetamidoethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide
SMILESCC(=O)NCCNC(=O)c1ccc(C)nc1N1CCOCC1
InChIInChI=1S/C15H22N4O3/c1-11-3-4-13(15(21)17-6-5-16-12(2)20)14(18-11)19-7-9-22-10-8-19/h3-4H,5-10H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyJRZRPMFRLVSLSD-UHFFFAOYSA-N
XLogP0.09
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 ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide (CID 126472029) is N-(2-acetamidoethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide is CC(=O)NCCNC(=O)c1ccc(C)nc1N1CCOCC1.
What is the InChIKey of N-(2-acetamidoethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is JRZRPMFRLVSLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-11-3-4-13(15(21)17-6-5-16-12(2)20)14(18-11)19-7-9-22-10-8-19/h3-4H,5-10H2,1-2H3,(H,16,20)(H,17,21).
What are the key properties of N-(2-acetamidoethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide?
N-(2-acetamidoethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 126472029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).