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

C14H20ClN3O2 — CID 46233461

IUPAC2-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCN2CCOCC2)c(Cl)n1
InChIInChI=1S/C14H20ClN3O2/c1-11-3-4-12(13(15)17-11)14(19)16-5-2-6-18-7-9-20-10-8-18/h3-4H,2,5-10H2,1H3,(H,16,19)
InChIKeyDAZBKULXHSFEAP-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.50
Rot. Bonds5

About 2-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide

2-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide (PubChem CID 46233461) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
PubChem CID46233461
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCN2CCOCC2)c(Cl)n1
InChIInChI=1S/C14H20ClN3O2/c1-11-3-4-12(13(15)17-11)14(19)16-5-2-6-18-7-9-20-10-8-18/h3-4H,2,5-10H2,1H3,(H,16,19)
InChIKeyDAZBKULXHSFEAP-UHFFFAOYSA-N
XLogP1.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide (CID 46233461) is 2-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide is Cc1ccc(C(=O)NCCCN2CCOCC2)c(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
The InChIKey is DAZBKULXHSFEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-11-3-4-12(13(15)17-11)14(19)16-5-2-6-18-7-9-20-10-8-18/h3-4H,2,5-10H2,1H3,(H,16,19).
What are the key properties of 2-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
2-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide has a molecular weight of 297.79 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 46233461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).