6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide

C14H21N3O2 — CID 2721277

IUPAC6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCN2CCOCC2)cn1
InChIInChI=1S/C14H21N3O2/c1-12-3-4-13(11-16-12)14(18)15-5-2-6-17-7-9-19-10-8-17/h3-4,11H,2,5-10H2,1H3,(H,15,18)
InChIKeyXCHQRSVSCLFOQL-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.84
Rot. Bonds5

About 6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide

6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide (PubChem CID 2721277) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
PubChem CID2721277
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCN2CCOCC2)cn1
InChIInChI=1S/C14H21N3O2/c1-12-3-4-13(11-16-12)14(18)15-5-2-6-17-7-9-19-10-8-17/h3-4,11H,2,5-10H2,1H3,(H,15,18)
InChIKeyXCHQRSVSCLFOQL-UHFFFAOYSA-N
XLogP0.84
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide (CID 2721277) is 6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide is Cc1ccc(C(=O)NCCCN2CCOCC2)cn1.
What is the InChIKey of 6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
The InChIKey is XCHQRSVSCLFOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-12-3-4-13(11-16-12)14(18)15-5-2-6-17-7-9-19-10-8-17/h3-4,11H,2,5-10H2,1H3,(H,15,18).
What are the key properties of 6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 2721277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).