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

C13H18ClN3O2 — CID 4124566

IUPAC2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cccnc1Cl
InChIInChI=1S/C13H18ClN3O2/c14-12-11(3-1-4-15-12)13(18)16-5-2-6-17-7-9-19-10-8-17/h1,3-4H,2,5-10H2,(H,16,18)
InChIKeyYLZONZBOTGMALV-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.19
Rot. Bonds5

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

2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide (PubChem CID 4124566) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
PubChem CID4124566
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cccnc1Cl
InChIInChI=1S/C13H18ClN3O2/c14-12-11(3-1-4-15-12)13(18)16-5-2-6-17-7-9-19-10-8-17/h1,3-4H,2,5-10H2,(H,16,18)
InChIKeyYLZONZBOTGMALV-UHFFFAOYSA-N
XLogP1.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.19
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-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide (CID 4124566) is 2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide is O=C(NCCCN1CCOCC1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
The InChIKey is YLZONZBOTGMALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c14-12-11(3-1-4-15-12)13(18)16-5-2-6-17-7-9-19-10-8-17/h1,3-4H,2,5-10H2,(H,16,18).
What are the key properties of 2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide?
2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide has a molecular weight of 283.76 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 4124566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).