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

C12H16ClN3O2 — CID 1228702

IUPAC6-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc(Cl)nc1
InChIInChI=1S/C12H16ClN3O2/c13-11-2-1-10(9-15-11)12(17)14-3-4-16-5-7-18-8-6-16/h1-2,9H,3-8H2,(H,14,17)
InChIKeyDWSIBMFUHQAQMK-UHFFFAOYSA-N
MW269.73 g/mol
LogP0.80
Rot. Bonds4

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

6-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide (PubChem CID 1228702) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 6-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
PubChem CID1228702
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name6-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc(Cl)nc1
InChIInChI=1S/C12H16ClN3O2/c13-11-2-1-10(9-15-11)12(17)14-3-4-16-5-7-18-8-6-16/h1-2,9H,3-8H2,(H,14,17)
InChIKeyDWSIBMFUHQAQMK-UHFFFAOYSA-N
XLogP0.80
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide (CID 1228702) is 6-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide is O=C(NCCN1CCOCC1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
The InChIKey is DWSIBMFUHQAQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c13-11-2-1-10(9-15-11)12(17)14-3-4-16-5-7-18-8-6-16/h1-2,9H,3-8H2,(H,14,17).
What are the key properties of 6-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
6-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide has a molecular weight of 269.73 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 1228702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).