N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2,2-dimethylmorpholine-4-carboxamide

C14H20Cl2N4O2 — CID 87007350

IUPACN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2,2-dimethylmorpholine-4-carboxamide
SMILESCC1(C)CN(C(=O)NCCNc2ncc(Cl)cc2Cl)CCO1
InChIInChI=1S/C14H20Cl2N4O2/c1-14(2)9-20(5-6-22-14)13(21)18-4-3-17-12-11(16)7-10(15)8-19-12/h7-8H,3-6,9H2,1-2H3,(H,17,19)(H,18,21)
InChIKeyRTWJSHBPALRNJN-UHFFFAOYSA-N
MW347.25 g/mol
LogP2.62
Rot. Bonds4

About N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2,2-dimethylmorpholine-4-carboxamide

N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2,2-dimethylmorpholine-4-carboxamide (PubChem CID 87007350) has the molecular formula C14H20Cl2N4O2 and a molecular weight of 347.25 g/mol. Its IUPAC name is N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2,2-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2,2-dimethylmorpholine-4-carboxamide
PubChem CID87007350
Molecular FormulaC14H20Cl2N4O2
Molecular Weight347.25 g/mol
Exact Mass346.10
IUPAC NameN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2,2-dimethylmorpholine-4-carboxamide
SMILESCC1(C)CN(C(=O)NCCNc2ncc(Cl)cc2Cl)CCO1
InChIInChI=1S/C14H20Cl2N4O2/c1-14(2)9-20(5-6-22-14)13(21)18-4-3-17-12-11(16)7-10(15)8-19-12/h7-8H,3-6,9H2,1-2H3,(H,17,19)(H,18,21)
InChIKeyRTWJSHBPALRNJN-UHFFFAOYSA-N
XLogP2.62
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2,2-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2,2-dimethylmorpholine-4-carboxamide (CID 87007350) is N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2,2-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2,2-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2,2-dimethylmorpholine-4-carboxamide is CC1(C)CN(C(=O)NCCNc2ncc(Cl)cc2Cl)CCO1.
What is the InChIKey of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2,2-dimethylmorpholine-4-carboxamide?
The InChIKey is RTWJSHBPALRNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N4O2/c1-14(2)9-20(5-6-22-14)13(21)18-4-3-17-12-11(16)7-10(15)8-19-12/h7-8H,3-6,9H2,1-2H3,(H,17,19)(H,18,21).
What are the key properties of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2,2-dimethylmorpholine-4-carboxamide?
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2,2-dimethylmorpholine-4-carboxamide has a molecular weight of 347.25 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2,2-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 87007350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).