3,4,5,6-tetrachloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-2-carboxamide

C15H12Cl4N4O2 — CID 56573813

IUPAC3,4,5,6-tetrachloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cn1)c1nc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C15H12Cl4N4O2/c16-10-11(17)13(22-14(19)12(10)18)15(24)21-9-2-1-8(7-20-9)23-3-5-25-6-4-23/h1-2,7H,3-6H2,(H,20,21,24)
InChIKeyIYKCHTRCTQDUBU-UHFFFAOYSA-N
MW422.10 g/mol
LogP4.18
Rot. Bonds3

About 3,4,5,6-tetrachloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-2-carboxamide

3,4,5,6-tetrachloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-2-carboxamide (PubChem CID 56573813) has the molecular formula C15H12Cl4N4O2 and a molecular weight of 422.10 g/mol. Its IUPAC name is 3,4,5,6-tetrachloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,4,5,6-tetrachloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-2-carboxamide
PubChem CID56573813
Molecular FormulaC15H12Cl4N4O2
Molecular Weight422.10 g/mol
Exact Mass419.97
IUPAC Name3,4,5,6-tetrachloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cn1)c1nc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C15H12Cl4N4O2/c16-10-11(17)13(22-14(19)12(10)18)15(24)21-9-2-1-8(7-20-9)23-3-5-25-6-4-23/h1-2,7H,3-6H2,(H,20,21,24)
InChIKeyIYKCHTRCTQDUBU-UHFFFAOYSA-N
XLogP4.18
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.10
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-4-carboxamide
CID 33447939
3-chloro-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 38139828
5-chloro-N-(5-morpholin-4-yl-2-pyridinyl)-1H-indole-2-carboxamide
CID 134002725
5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 38139634
N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 134053222
4-fluoro-3,5-dimethyl-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 146084918
6-methoxy-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide
CID 134053283
N-(5-morpholin-4-yl-2-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 38143196
5-(2-fluorophenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-1,2-oxazole-3-carboxamide
CID 37342413
N-(5-morpholin-4-yl-2-pyridinyl)-2-oxochromene-3-carboxamide
CID 47020558
5-bromo-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 55651490
N-[4-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55540208

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrachloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 3,4,5,6-tetrachloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-2-carboxamide (CID 56573813) is 3,4,5,6-tetrachloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,4,5,6-tetrachloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 3,4,5,6-tetrachloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-2-carboxamide is O=C(Nc1ccc(N2CCOCC2)cn1)c1nc(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 3,4,5,6-tetrachloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-2-carboxamide?
The InChIKey is IYKCHTRCTQDUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl4N4O2/c16-10-11(17)13(22-14(19)12(10)18)15(24)21-9-2-1-8(7-20-9)23-3-5-25-6-4-23/h1-2,7H,3-6H2,(H,20,21,24).
What are the key properties of 3,4,5,6-tetrachloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-2-carboxamide?
3,4,5,6-tetrachloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-2-carboxamide has a molecular weight of 422.10 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrachloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 56573813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).