N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide

C19H17N3O4 — CID 109231602

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cncc(NCc2ccco2)c1
InChIInChI=1S/C19H17N3O4/c23-19(22-14-3-4-17-18(9-14)26-7-6-25-17)13-8-15(11-20-10-13)21-12-16-2-1-5-24-16/h1-5,8-11,21H,6-7,12H2,(H,22,23)
InChIKeyCOHSBQWHICRSOZ-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.31
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109231602) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
PubChem CID109231602
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cncc(NCc2ccco2)c1
InChIInChI=1S/C19H17N3O4/c23-19(22-14-3-4-17-18(9-14)26-7-6-25-17)13-8-15(11-20-10-13)21-12-16-2-1-5-24-16/h1-5,8-11,21H,6-7,12H2,(H,22,23)
InChIKeyCOHSBQWHICRSOZ-UHFFFAOYSA-N
XLogP3.31
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-difluorophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231628
N-[4-(diethylamino)phenyl]-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231586
5-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
CID 109234149
N-(3,5-dichlorophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231615
5-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
CID 109224700
5-(furan-2-ylmethylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109231563
5-(furan-2-ylmethylamino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109231569
ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate
CID 109231605
N-cyclopropyl-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109223574
N-[4-(furan-2-ylmethylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 112981821
5-(furan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109231475
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxypyridine-3-carboxamide
CID 63864601

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide (CID 109231602) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1cncc(NCc2ccco2)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is COHSBQWHICRSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c23-19(22-14-3-4-17-18(9-14)26-7-6-25-17)13-8-15(11-20-10-13)21-12-16-2-1-5-24-16/h1-5,8-11,21H,6-7,12H2,(H,22,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 351.36 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109231602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).