5-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide

C21H18ClN3O3 — CID 109234149

IUPAC5-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cncc(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H18ClN3O3/c22-16-3-1-14(2-4-16)11-24-18-9-15(12-23-13-18)21(26)25-17-5-6-19-20(10-17)28-8-7-27-19/h1-6,9-10,12-13,24H,7-8,11H2,(H,25,26)
InChIKeyFDYVAGMAIPJUJP-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.37
Rot. Bonds5

About 5-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide

5-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide (PubChem CID 109234149) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
PubChem CID109234149
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Name5-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cncc(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H18ClN3O3/c22-16-3-1-14(2-4-16)11-24-18-9-15(12-23-13-18)21(26)25-17-5-6-19-20(10-17)28-8-7-27-19/h1-6,9-10,12-13,24H,7-8,11H2,(H,25,26)
InChIKeyFDYVAGMAIPJUJP-UHFFFAOYSA-N
XLogP4.37
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231602
N-(4-chlorophenyl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233729
N-(3-chloro-4-methylphenyl)-5-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109234126
5-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
CID 109224700
5-(4-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
CID 109244837
methyl 4-[[5-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109234145
N-(3-chloro-4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235706
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxypyridine-3-carboxamide
CID 63864601
5-(1,3-benzodioxol-5-ylmethylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 109234686
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256322
5-(1,3-benzodioxol-5-ylmethylamino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109234698
5-(benzylamino)-N-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 109231930

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide (CID 109234149) is 5-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1cncc(NCc2ccc(Cl)cc2)c1.
What is the InChIKey of 5-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide?
The InChIKey is FDYVAGMAIPJUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c22-16-3-1-14(2-4-16)11-24-18-9-15(12-23-13-18)21(26)25-17-5-6-19-20(10-17)28-8-7-27-19/h1-6,9-10,12-13,24H,7-8,11H2,(H,25,26).
What are the key properties of 5-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide?
5-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide has a molecular weight of 395.85 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109234149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).