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

C18H21N3O4 — CID 109167122

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-methoxypropyl)pyridine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C18H21N3O4/c1-23-8-2-6-20-18(22)13-5-7-19-17(11-13)21-14-3-4-15-16(12-14)25-10-9-24-15/h3-5,7,11-12H,2,6,8-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyGDCZBIGQUXQTRD-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.36
Rot. Bonds7

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

2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-methoxypropyl)pyridine-4-carboxamide (PubChem CID 109167122) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-methoxypropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-methoxypropyl)pyridine-4-carboxamide
PubChem CID109167122
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-methoxypropyl)pyridine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C18H21N3O4/c1-23-8-2-6-20-18(22)13-5-7-19-17(11-13)21-14-3-4-15-16(12-14)25-10-9-24-15/h3-5,7,11-12H,2,6,8-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyGDCZBIGQUXQTRD-UHFFFAOYSA-N
XLogP2.36
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251823
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082770
2-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167052
2-(3-fluoroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167115
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 46283333
N-(3-methoxypropyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109167047
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,5-dimethylphenyl)pyridine-4-carboxamide
CID 109176631
N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 138989537
2-(1,3-benzodioxol-5-ylamino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109168006
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylanilino)pyridine-4-carboxamide
CID 109176917
N-(3-methoxypropyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyridine-4-carboxamide
CID 109167109
2-(1,3-benzodioxol-5-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyridine-4-carboxamide
CID 109173834

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-methoxypropyl)pyridine-4-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-methoxypropyl)pyridine-4-carboxamide (CID 109167122) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-methoxypropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-methoxypropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-methoxypropyl)pyridine-4-carboxamide is COCCCNC(=O)c1ccnc(Nc2ccc3c(c2)OCCO3)c1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-methoxypropyl)pyridine-4-carboxamide?
The InChIKey is GDCZBIGQUXQTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-23-8-2-6-20-18(22)13-5-7-19-17(11-13)21-14-3-4-15-16(12-14)25-10-9-24-15/h3-5,7,11-12H,2,6,8-10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-methoxypropyl)pyridine-4-carboxamide?
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-methoxypropyl)pyridine-4-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-methoxypropyl)pyridine-4-carboxamide is sourced from PubChem (CID 109167122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).