4-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylmorpholine-3-carboxamide

C13H17Cl2N3O2 — CID 106993901

IUPAC4-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1Cc1ccc(Cl)nc1Cl
InChIInChI=1S/C13H17Cl2N3O2/c1-2-16-13(19)10-8-20-6-5-18(10)7-9-3-4-11(14)17-12(9)15/h3-4,10H,2,5-8H2,1H3,(H,16,19)
InChIKeyYCPPOJMQVYWDFY-UHFFFAOYSA-N
MW318.20 g/mol
LogP1.73
Rot. Bonds4

About 4-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylmorpholine-3-carboxamide

4-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylmorpholine-3-carboxamide (PubChem CID 106993901) has the molecular formula C13H17Cl2N3O2 and a molecular weight of 318.20 g/mol. Its IUPAC name is 4-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylmorpholine-3-carboxamide
PubChem CID106993901
Molecular FormulaC13H17Cl2N3O2
Molecular Weight318.20 g/mol
Exact Mass317.07
IUPAC Name4-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1Cc1ccc(Cl)nc1Cl
InChIInChI=1S/C13H17Cl2N3O2/c1-2-16-13(19)10-8-20-6-5-18(10)7-9-3-4-11(14)17-12(9)15/h3-4,10H,2,5-8H2,1H3,(H,16,19)
InChIKeyYCPPOJMQVYWDFY-UHFFFAOYSA-N
XLogP1.73
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 51.73
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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Related Compounds

4-[(4-amino-2-chlorophenyl)methyl]-N-ethylmorpholine-3-carboxamide
CID 83106435
4-[(3,6-dichloro-2-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83098821
4-[(2-chloro-3-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83099400
N-ethyl-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 83103290
4-[(4-amino-6-methylpyrimidin-2-yl)methyl]-N-ethylmorpholine-3-carboxamide
CID 83103789
4-[(6-chloro-3-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83099251
N-ethyl-4-[[6-(ethylamino)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 83105484
4-[(6-chloropyridazin-3-yl)methyl]-N-methylmorpholine-3-carboxamide
CID 104513820
N-ethyl-4-(2-oxo-3-phenylpropyl)morpholine-3-carboxamide
CID 83101765
4-[(6-chloropyridazin-3-yl)methyl]morpholine-3-carboxamide
CID 104513819
N-ethyl-4-(2-oxopropyl)morpholine-3-carboxamide
CID 83103810
N-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide
CID 83103084

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylmorpholine-3-carboxamide (CID 106993901) is 4-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1Cc1ccc(Cl)nc1Cl.
What is the InChIKey of 4-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylmorpholine-3-carboxamide?
The InChIKey is YCPPOJMQVYWDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O2/c1-2-16-13(19)10-8-20-6-5-18(10)7-9-3-4-11(14)17-12(9)15/h3-4,10H,2,5-8H2,1H3,(H,16,19).
What are the key properties of 4-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylmorpholine-3-carboxamide?
4-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylmorpholine-3-carboxamide has a molecular weight of 318.20 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 106993901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).