N-(1,3-benzodioxol-5-yl)-6-(2-phenylethylamino)pyridine-3-carboxamide

C21H19N3O3 — CID 109158270

IUPACN-(1,3-benzodioxol-5-yl)-6-(2-phenylethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(NCCc2ccccc2)nc1
InChIInChI=1S/C21H19N3O3/c25-21(24-17-7-8-18-19(12-17)27-14-26-18)16-6-9-20(23-13-16)22-11-10-15-4-2-1-3-5-15/h1-9,12-13H,10-11,14H2,(H,22,23)(H,24,25)
InChIKeyHWUCVBBRKPGQKI-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.72
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-6-(2-phenylethylamino)pyridine-3-carboxamide

N-(1,3-benzodioxol-5-yl)-6-(2-phenylethylamino)pyridine-3-carboxamide (PubChem CID 109158270) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-(2-phenylethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-(2-phenylethylamino)pyridine-3-carboxamide
PubChem CID109158270
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-(2-phenylethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(NCCc2ccccc2)nc1
InChIInChI=1S/C21H19N3O3/c25-21(24-17-7-8-18-19(12-17)27-14-26-18)16-6-9-20(23-13-16)22-11-10-15-4-2-1-3-5-15/h1-9,12-13H,10-11,14H2,(H,22,23)(H,24,25)
InChIKeyHWUCVBBRKPGQKI-UHFFFAOYSA-N
XLogP3.72
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109157463
N-[5-(3-phenylpropylamino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113029836
N-(3-acetamidophenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158260
N-(3-chlorophenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158234
N-(1,3-benzodioxol-5-yl)-2-[2-(4-chlorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109261477
N-(1,3-benzodioxol-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109164809
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113028205
N-(1,3-benzodioxol-5-yl)-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109289187
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
CID 109152763
6-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 109157436
N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160785
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-phenylpropylamino)pyrimidine-5-carboxamide
CID 109262736

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-(2-phenylethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-(2-phenylethylamino)pyridine-3-carboxamide (CID 109158270) is N-(1,3-benzodioxol-5-yl)-6-(2-phenylethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-(2-phenylethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-(2-phenylethylamino)pyridine-3-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1ccc(NCCc2ccccc2)nc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-(2-phenylethylamino)pyridine-3-carboxamide?
The InChIKey is HWUCVBBRKPGQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c25-21(24-17-7-8-18-19(12-17)27-14-26-18)16-6-9-20(23-13-16)22-11-10-15-4-2-1-3-5-15/h1-9,12-13H,10-11,14H2,(H,22,23)(H,24,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-(2-phenylethylamino)pyridine-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-6-(2-phenylethylamino)pyridine-3-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-(2-phenylethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109158270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).