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

C20H18N4O3 — CID 109213214

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cc(NCc2cccnc2)ccn1
InChIInChI=1S/C20H18N4O3/c25-20(24-16-3-4-18-19(11-16)27-9-8-26-18)17-10-15(5-7-22-17)23-13-14-2-1-6-21-12-14/h1-7,10-12H,8-9,13H2,(H,22,23)(H,24,25)
InChIKeyUETFVSMLFWLNAM-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.11
Rot. Bonds5

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109213214) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
PubChem CID109213214
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cc(NCc2cccnc2)ccn1
InChIInChI=1S/C20H18N4O3/c25-20(24-16-3-4-18-19(11-16)27-9-8-26-18)17-10-15(5-7-22-17)23-13-14-2-1-6-21-12-14/h1-7,10-12H,8-9,13H2,(H,22,23)(H,24,25)
InChIKeyUETFVSMLFWLNAM-UHFFFAOYSA-N
XLogP3.11
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109211596
N-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213139
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329961
N-(4-fluorophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213164
N-(3-acetamidophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213194
N-(3-chloro-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213171
N-(3-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213141
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202435
N-(4-piperidin-1-ylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213203
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999581
N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
CID 695351
N-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212927

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide (CID 109213214) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1cc(NCc2cccnc2)ccn1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is UETFVSMLFWLNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c25-20(24-16-3-4-18-19(11-16)27-9-8-26-18)17-10-15(5-7-22-17)23-13-14-2-1-6-21-12-14/h1-7,10-12H,8-9,13H2,(H,22,23)(H,24,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 3.11, 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)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109213214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).