5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide

C23H23N3O3 — CID 109194885

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccc(Nc2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C23H23N3O3/c27-23(24-12-4-7-17-5-2-1-3-6-17)20-10-8-19(16-25-20)26-18-9-11-21-22(15-18)29-14-13-28-21/h1-3,5-6,8-11,15-16,26H,4,7,12-14H2,(H,24,27)
InChIKeyYNENVNPSYMLIFJ-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.96
Rot. Bonds7

About 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide

5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide (PubChem CID 109194885) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
PubChem CID109194885
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccc(Nc2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C23H23N3O3/c27-23(24-12-4-7-17-5-2-1-3-6-17)20-10-8-19(16-25-20)26-18-9-11-21-22(15-18)29-14-13-28-21/h1-3,5-6,8-11,15-16,26H,4,7,12-14H2,(H,24,27)
InChIKeyYNENVNPSYMLIFJ-UHFFFAOYSA-N
XLogP3.96
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191832
N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide
CID 109187949
5-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194849
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyridine-2-carboxamide
CID 109194689
5-(2,4-difluoroanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194887
5-(3,4-dimethylanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191782
5-(cyclopentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109182409
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-phenylpropylamino)pyrimidine-5-carboxamide
CID 109262736
5-(4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191792
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109199702
5-(2-methoxyethylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109184071
5-(pentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194843

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide (CID 109194885) is 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide is O=C(NCCCc1ccccc1)c1ccc(Nc2ccc3c(c2)OCCO3)cn1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The InChIKey is YNENVNPSYMLIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-23(24-12-4-7-17-5-2-1-3-6-17)20-10-8-19(16-25-20)26-18-9-11-21-22(15-18)29-14-13-28-21/h1-3,5-6,8-11,15-16,26H,4,7,12-14H2,(H,24,27).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide?
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109194885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).