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

C18H21N3O3 — CID 109194689

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C18H21N3O3/c1-3-21(4-2)18(22)15-7-5-14(12-19-15)20-13-6-8-16-17(11-13)24-10-9-23-16/h5-8,11-12,20H,3-4,9-10H2,1-2H3
InChIKeyFNIBFWLQLDHGDX-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.08
Rot. Bonds5

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

5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyridine-2-carboxamide (PubChem CID 109194689) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyridine-2-carboxamide
PubChem CID109194689
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C18H21N3O3/c1-3-21(4-2)18(22)15-7-5-14(12-19-15)20-13-6-8-16-17(11-13)24-10-9-23-16/h5-8,11-12,20H,3-4,9-10H2,1-2H3
InChIKeyFNIBFWLQLDHGDX-UHFFFAOYSA-N
XLogP3.08
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262433
N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide
CID 109187949
5-(4-bromo-3-methylanilino)-N,N-diethylpyridine-2-carboxamide
CID 109194687
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194885
5-[4-(dimethylamino)anilino]-N,N-diethylpyridine-2-carboxamide
CID 109194672
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109199892
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191832
N,N-diethyl-5-hydrazinylpyridine-2-carboxamide
CID 104642323
5-(1,3-benzodioxol-5-ylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181171
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109199702
N-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide
CID 109200752
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylpyrazine-2-carboxamide
CID 9464716

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyridine-2-carboxamide?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyridine-2-carboxamide (CID 109194689) is 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyridine-2-carboxamide.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyridine-2-carboxamide?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyridine-2-carboxamide is CCN(CC)C(=O)c1ccc(Nc2ccc3c(c2)OCCO3)cn1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyridine-2-carboxamide?
The InChIKey is FNIBFWLQLDHGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-21(4-2)18(22)15-7-5-14(12-19-15)20-13-6-8-16-17(11-13)24-10-9-23-16/h5-8,11-12,20H,3-4,9-10H2,1-2H3.
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyridine-2-carboxamide?
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyridine-2-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 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,N-diethylpyridine-2-carboxamide is sourced from PubChem (CID 109194689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).