2,6-dichloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]pyridine-3-carboxamide

C20H21Cl2N3O3 — CID 71881346

IUPAC2,6-dichloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCC1CN(C(=O)c2ccc(CNC(=O)c3ccc(Cl)nc3Cl)cc2)CC(C)O1
InChIInChI=1S/C20H21Cl2N3O3/c1-12-10-25(11-13(2)28-12)20(27)15-5-3-14(4-6-15)9-23-19(26)16-7-8-17(21)24-18(16)22/h3-8,12-13H,9-11H2,1-2H3,(H,23,26)
InChIKeyPICLKEFUOVBFPH-UHFFFAOYSA-N
MW422.31 g/mol
LogP3.57
Rot. Bonds4

About 2,6-dichloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]pyridine-3-carboxamide

2,6-dichloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 71881346) has the molecular formula C20H21Cl2N3O3 and a molecular weight of 422.31 g/mol. Its IUPAC name is 2,6-dichloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID71881346
Molecular FormulaC20H21Cl2N3O3
Molecular Weight422.31 g/mol
Exact Mass421.10
IUPAC Name2,6-dichloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCC1CN(C(=O)c2ccc(CNC(=O)c3ccc(Cl)nc3Cl)cc2)CC(C)O1
InChIInChI=1S/C20H21Cl2N3O3/c1-12-10-25(11-13(2)28-12)20(27)15-5-3-14(4-6-15)9-23-19(26)16-7-8-17(21)24-18(16)22/h3-8,12-13H,9-11H2,1-2H3,(H,23,26)
InChIKeyPICLKEFUOVBFPH-UHFFFAOYSA-N
XLogP3.57
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.31
LogP ≤ 53.57
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

5-amino-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methylbenzamide
CID 120626034
5-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685308
3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]-2-methyl-3-oxopropanoic acid
CID 146081496
2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylcarbamoyl]pyridine-4-carboxylic acid
CID 122055437
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
5-chloro-2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]benzonitrile
CID 133285979
N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119752614
1-(cyclobutylmethyl)-3-[[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]urea
CID 95225967
4-[butyl(methyl)amino]-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzamide
CID 60611612
4-(2-chlorophenyl)-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperazine-1-carboxamide
CID 60588238
1-[(2-chlorophenyl)methyl]-3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111174037
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanone
CID 124730185

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]pyridine-3-carboxamide (CID 71881346) is 2,6-dichloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]pyridine-3-carboxamide is CC1CN(C(=O)c2ccc(CNC(=O)c3ccc(Cl)nc3Cl)cc2)CC(C)O1.
What is the InChIKey of 2,6-dichloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is PICLKEFUOVBFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O3/c1-12-10-25(11-13(2)28-12)20(27)15-5-3-14(4-6-15)9-23-19(26)16-7-8-17(21)24-18(16)22/h3-8,12-13H,9-11H2,1-2H3,(H,23,26).
What are the key properties of 2,6-dichloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]pyridine-3-carboxamide?
2,6-dichloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 422.31 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 71881346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).