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

C22H21N3O3 — CID 109176917

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylanilino)pyridine-4-carboxamide
SMILESCCc1ccc(Nc2cc(C(=O)Nc3ccc4c(c3)OCCO4)ccn2)cc1
InChIInChI=1S/C22H21N3O3/c1-2-15-3-5-17(6-4-15)24-21-13-16(9-10-23-21)22(26)25-18-7-8-19-20(14-18)28-12-11-27-19/h3-10,13-14H,2,11-12H2,1H3,(H,23,24)(H,25,26)
InChIKeyVMPPQMPNXYPPIE-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.41
Rot. Bonds5

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylanilino)pyridine-4-carboxamide (PubChem CID 109176917) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylanilino)pyridine-4-carboxamide
PubChem CID109176917
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylanilino)pyridine-4-carboxamide
SMILESCCc1ccc(Nc2cc(C(=O)Nc3ccc4c(c3)OCCO4)ccn2)cc1
InChIInChI=1S/C22H21N3O3/c1-2-15-3-5-17(6-4-15)24-21-13-16(9-10-23-21)22(26)25-18-7-8-19-20(14-18)28-12-11-27-19/h3-10,13-14H,2,11-12H2,1H3,(H,23,24)(H,25,26)
InChIKeyVMPPQMPNXYPPIE-UHFFFAOYSA-N
XLogP4.41
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
CID 109178842
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 46283333
N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-ylanilino)pyridine-4-carboxamide
CID 109177107
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109357395
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,5-dimethylphenyl)pyridine-4-carboxamide
CID 109176631
ethyl 4-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate
CID 109176919
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
CID 103751678
N-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylamino)pyridine-4-carboxamide
CID 109171482
2-(1,3-benzodioxol-5-ylamino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 109176718
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167122
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171786
2-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-4-carboxamide
CID 103751947

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylanilino)pyridine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylanilino)pyridine-4-carboxamide (CID 109176917) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylanilino)pyridine-4-carboxamide is CCc1ccc(Nc2cc(C(=O)Nc3ccc4c(c3)OCCO4)ccn2)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylanilino)pyridine-4-carboxamide?
The InChIKey is VMPPQMPNXYPPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-2-15-3-5-17(6-4-15)24-21-13-16(9-10-23-21)22(26)25-18-7-8-19-20(14-18)28-12-11-27-19/h3-10,13-14H,2,11-12H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylanilino)pyridine-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylanilino)pyridine-4-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109176917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).