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

C22H21N3O3 — CID 109157463

IUPACN-(1,3-benzodioxol-5-ylmethyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccc(NCCc2ccccc2)nc1
InChIInChI=1S/C22H21N3O3/c26-22(25-13-17-6-8-19-20(12-17)28-15-27-19)18-7-9-21(24-14-18)23-11-10-16-4-2-1-3-5-16/h1-9,12,14H,10-11,13,15H2,(H,23,24)(H,25,26)
InChIKeyWKGAOMSAJQFDAG-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.39
Rot. Bonds7

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

N-(1,3-benzodioxol-5-ylmethyl)-6-(2-phenylethylamino)pyridine-3-carboxamide (PubChem CID 109157463) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-6-(2-phenylethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
PubChem CID109157463
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccc(NCCc2ccccc2)nc1
InChIInChI=1S/C22H21N3O3/c26-22(25-13-17-6-8-19-20(12-17)28-15-27-19)18-7-9-21(24-14-18)23-11-10-16-4-2-1-3-5-16/h1-9,12,14H,10-11,13,15H2,(H,23,24)(H,25,26)
InChIKeyWKGAOMSAJQFDAG-UHFFFAOYSA-N
XLogP3.39
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158270
N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109157472
N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156766
N-(1,3-benzodioxol-5-ylmethyl)-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109120429
6-(1,3-benzodioxol-5-ylmethylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109156686
N-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109155289
N-[(3-methylphenyl)methyl]-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109155882
2-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-2,5-dicarboxamide
CID 1294350
N-(1,3-benzodioxol-5-ylmethyl)-6-(2-cyanoanilino)pyridine-3-carboxamide
CID 109157521
N-(1,3-benzodioxol-5-ylmethyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109120437
6-[2-(4-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158292
6-(2-phenylethylamino)-N-propylpyridine-3-carboxamide
CID 109151243

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6-(2-phenylethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6-(2-phenylethylamino)pyridine-3-carboxamide (CID 109157463) is N-(1,3-benzodioxol-5-ylmethyl)-6-(2-phenylethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-6-(2-phenylethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-6-(2-phenylethylamino)pyridine-3-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1ccc(NCCc2ccccc2)nc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-6-(2-phenylethylamino)pyridine-3-carboxamide?
The InChIKey is WKGAOMSAJQFDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-22(25-13-17-6-8-19-20(12-17)28-15-27-19)18-7-9-21(24-14-18)23-11-10-16-4-2-1-3-5-16/h1-9,12,14H,10-11,13,15H2,(H,23,24)(H,25,26).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-6-(2-phenylethylamino)pyridine-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-6-(2-phenylethylamino)pyridine-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.39, 7 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-ylmethyl)-6-(2-phenylethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109157463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).