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

C22H21N3O3 — CID 109191832

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-phenylethyl)pyridine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(Nc2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C22H21N3O3/c26-22(23-11-10-16-4-2-1-3-5-16)19-8-6-18(15-24-19)25-17-7-9-20-21(14-17)28-13-12-27-20/h1-9,14-15,25H,10-13H2,(H,23,26)
InChIKeyQYHLEIJWBAYXQK-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.57
Rot. Bonds6

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

5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-phenylethyl)pyridine-2-carboxamide (PubChem CID 109191832) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-phenylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-phenylethyl)pyridine-2-carboxamide
PubChem CID109191832
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-phenylethyl)pyridine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(Nc2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C22H21N3O3/c26-22(23-11-10-16-4-2-1-3-5-16)19-8-6-18(15-24-19)25-17-7-9-20-21(14-17)28-13-12-27-20/h1-9,14-15,25H,10-13H2,(H,23,26)
InChIKeyQYHLEIJWBAYXQK-UHFFFAOYSA-N
XLogP3.57
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194885
N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide
CID 109187949
5-(3,4-dimethylanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191782
5-(4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191792
5-(3-chloro-4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191800
5-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194849
N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 16547660
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyridine-2-carboxamide
CID 109194689
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109199702
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109158733
N-[2-(4-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191849
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109199892

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-phenylethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-phenylethyl)pyridine-2-carboxamide (CID 109191832) is 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-phenylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-phenylethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-phenylethyl)pyridine-2-carboxamide is O=C(NCCc1ccccc1)c1ccc(Nc2ccc3c(c2)OCCO3)cn1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-phenylethyl)pyridine-2-carboxamide?
The InChIKey is QYHLEIJWBAYXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-22(23-11-10-16-4-2-1-3-5-16)19-8-6-18(15-24-19)25-17-7-9-20-21(14-17)28-13-12-27-20/h1-9,14-15,25H,10-13H2,(H,23,26).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-phenylethyl)pyridine-2-carboxamide?
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-phenylethyl)pyridine-2-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 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-(2-phenylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109191832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).