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

C14H19Cl2N3O2 — CID 83098821

IUPAC4-[(3,6-dichloro-2-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1Cc1nc(Cl)ccc1Cl
InChIInChI=1S/C14H19Cl2N3O2/c1-2-5-17-14(20)12-9-21-7-6-19(12)8-11-10(15)3-4-13(16)18-11/h3-4,12H,2,5-9H2,1H3,(H,17,20)
InChIKeyMJVFUWSCXXIKHM-UHFFFAOYSA-N
MW332.23 g/mol
LogP2.12
Rot. Bonds5

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

4-[(3,6-dichloro-2-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide (PubChem CID 83098821) has the molecular formula C14H19Cl2N3O2 and a molecular weight of 332.23 g/mol. Its IUPAC name is 4-[(3,6-dichloro-2-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(3,6-dichloro-2-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide
PubChem CID83098821
Molecular FormulaC14H19Cl2N3O2
Molecular Weight332.23 g/mol
Exact Mass331.09
IUPAC Name4-[(3,6-dichloro-2-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1Cc1nc(Cl)ccc1Cl
InChIInChI=1S/C14H19Cl2N3O2/c1-2-5-17-14(20)12-9-21-7-6-19(12)8-11-10(15)3-4-13(16)18-11/h3-4,12H,2,5-9H2,1H3,(H,17,20)
InChIKeyMJVFUWSCXXIKHM-UHFFFAOYSA-N
XLogP2.12
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 52.12
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-[(6-chloro-3-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83099251
4-[(4-aminophenyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83106227
4-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylmorpholine-3-carboxamide
CID 106993901
4-[(2-chloro-3-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83099400
4-[(3,6-dichloro-2-pyridinyl)methyl]-3-ethylmorpholine
CID 62890747
4-[(6-amino-3-chloro-2-pyridinyl)methyl]morpholine-3-carboxamide
CID 83095377
4-[(4-hydrazinyl-2-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83105186
4-[(3-cyanophenyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83097683
4-[(6-chloropyridazin-3-yl)methyl]-N-methylmorpholine-3-carboxamide
CID 104513820
5-chloro-6-[(3-methylmorpholin-4-yl)methyl]pyridin-2-amine
CID 62892343
4-(3,6-dichloro-1,2,4-triazin-5-yl)-N-propylmorpholine-3-carboxamide
CID 83103198
4-[(4-amino-2-chlorophenyl)methyl]-N-ethylmorpholine-3-carboxamide
CID 83106435

Frequently Asked Questions

What is the IUPAC name of 4-[(3,6-dichloro-2-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide?
The IUPAC name of 4-[(3,6-dichloro-2-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide (CID 83098821) is 4-[(3,6-dichloro-2-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[(3,6-dichloro-2-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide?
The canonical SMILES for 4-[(3,6-dichloro-2-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide is CCCNC(=O)C1COCCN1Cc1nc(Cl)ccc1Cl.
What is the InChIKey of 4-[(3,6-dichloro-2-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide?
The InChIKey is MJVFUWSCXXIKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O2/c1-2-5-17-14(20)12-9-21-7-6-19(12)8-11-10(15)3-4-13(16)18-11/h3-4,12H,2,5-9H2,1H3,(H,17,20).
What are the key properties of 4-[(3,6-dichloro-2-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide?
4-[(3,6-dichloro-2-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide has a molecular weight of 332.23 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,6-dichloro-2-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide is sourced from PubChem (CID 83098821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).