3,6-dichloro-N-(2,4-dimorpholin-4-ylphenyl)pyridine-2-carboxamide

C20H22Cl2N4O3 — CID 26072183

IUPAC3,6-dichloro-N-(2,4-dimorpholin-4-ylphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C20H22Cl2N4O3/c21-15-2-4-18(22)24-19(15)20(27)23-16-3-1-14(25-5-9-28-10-6-25)13-17(16)26-7-11-29-12-8-26/h1-4,13H,5-12H2,(H,23,27)
InChIKeyVOILCAFCIPAKCU-UHFFFAOYSA-N
MW437.33 g/mol
LogP3.31
Rot. Bonds4

About 3,6-dichloro-N-(2,4-dimorpholin-4-ylphenyl)pyridine-2-carboxamide

3,6-dichloro-N-(2,4-dimorpholin-4-ylphenyl)pyridine-2-carboxamide (PubChem CID 26072183) has the molecular formula C20H22Cl2N4O3 and a molecular weight of 437.33 g/mol. Its IUPAC name is 3,6-dichloro-N-(2,4-dimorpholin-4-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(2,4-dimorpholin-4-ylphenyl)pyridine-2-carboxamide
PubChem CID26072183
Molecular FormulaC20H22Cl2N4O3
Molecular Weight437.33 g/mol
Exact Mass436.11
IUPAC Name3,6-dichloro-N-(2,4-dimorpholin-4-ylphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C20H22Cl2N4O3/c21-15-2-4-18(22)24-19(15)20(27)23-16-3-1-14(25-5-9-28-10-6-25)13-17(16)26-7-11-29-12-8-26/h1-4,13H,5-12H2,(H,23,27)
InChIKeyVOILCAFCIPAKCU-UHFFFAOYSA-N
XLogP3.31
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2,4-dimorpholin-4-ylphenyl)-3-nitrobenzamide
CID 4824096
N-(2,4-dimorpholin-4-ylphenyl)pyridine-3-carboxamide
CID 24676967
methyl 2-[(2,6-dichloropyridine-3-carbonyl)amino]-5-morpholin-4-ylbenzoate
CID 71881377
N-(2,4-dimorpholin-4-ylphenyl)-6-methylpyridine-3-carboxamide
CID 18149073
N-(2,4-dimorpholin-4-ylphenyl)-3-fluorobenzamide
CID 4824008
N-(2,4-dimorpholin-4-ylphenyl)-3-methyl-1H-pyrrole-2-carboxamide
CID 167806321
2-chloro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400474
N-(2,4-dimorpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 112834593
1-tert-butyl-N-(2,4-dimorpholin-4-ylphenyl)pyrazole-4-carboxamide
CID 112839574
N-(2,4-dimorpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide
CID 112761839
3-(dimethylamino)-N-(2,4-dimorpholin-4-ylphenyl)benzamide
CID 26072175
5-bromo-N-(4-morpholin-4-yl-2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 137370573

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2,4-dimorpholin-4-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(2,4-dimorpholin-4-ylphenyl)pyridine-2-carboxamide (CID 26072183) is 3,6-dichloro-N-(2,4-dimorpholin-4-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(2,4-dimorpholin-4-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(2,4-dimorpholin-4-ylphenyl)pyridine-2-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(2,4-dimorpholin-4-ylphenyl)pyridine-2-carboxamide?
The InChIKey is VOILCAFCIPAKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N4O3/c21-15-2-4-18(22)24-19(15)20(27)23-16-3-1-14(25-5-9-28-10-6-25)13-17(16)26-7-11-29-12-8-26/h1-4,13H,5-12H2,(H,23,27).
What are the key properties of 3,6-dichloro-N-(2,4-dimorpholin-4-ylphenyl)pyridine-2-carboxamide?
3,6-dichloro-N-(2,4-dimorpholin-4-ylphenyl)pyridine-2-carboxamide has a molecular weight of 437.33 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2,4-dimorpholin-4-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 26072183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).