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

C12H16ClN3O2 — CID 3466480

IUPAC2-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cccnc1Cl
InChIInChI=1S/C12H16ClN3O2/c13-11-10(2-1-3-14-11)12(17)15-4-5-16-6-8-18-9-7-16/h1-3H,4-9H2,(H,15,17)
InChIKeyDSNJJTFFMQNNPE-UHFFFAOYSA-N
MW269.73 g/mol
LogP0.80
Rot. Bonds4

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

2-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide (PubChem CID 3466480) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
PubChem CID3466480
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name2-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cccnc1Cl
InChIInChI=1S/C12H16ClN3O2/c13-11-10(2-1-3-14-11)12(17)15-4-5-16-6-8-18-9-7-16/h1-3H,4-9H2,(H,15,17)
InChIKeyDSNJJTFFMQNNPE-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 2-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide (CID 3466480) is 2-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide is O=C(NCCN1CCOCC1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
The InChIKey is DSNJJTFFMQNNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c13-11-10(2-1-3-14-11)12(17)15-4-5-16-6-8-18-9-7-16/h1-3H,4-9H2,(H,15,17).
What are the key properties of 2-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
2-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 2-chloro-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 3466480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).