N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methylbenzamide

C20H17N3O3 — CID 113036144

IUPACN-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Nc3ccc4c(c3)OCO4)cn2)cc1
InChIInChI=1S/C20H17N3O3/c1-13-2-4-14(5-3-13)20(24)23-19-9-7-16(11-21-19)22-15-6-8-17-18(10-15)26-12-25-17/h2-11,22H,12H2,1H3,(H,21,23,24)
InChIKeyGWEJGAUFBUOZAB-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.11
Rot. Bonds4

About N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methylbenzamide

N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methylbenzamide (PubChem CID 113036144) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methylbenzamide
PubChem CID113036144
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Nc3ccc4c(c3)OCO4)cn2)cc1
InChIInChI=1S/C20H17N3O3/c1-13-2-4-14(5-3-13)20(24)23-19-9-7-16(11-21-19)22-15-6-8-17-18(10-15)26-12-25-17/h2-11,22H,12H2,1H3,(H,21,23,24)
InChIKeyGWEJGAUFBUOZAB-UHFFFAOYSA-N
XLogP4.11
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methoxybenzamide
CID 113036150
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]-4-methylbenzamide
CID 113021649
N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113032826
N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 669665
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113032271
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-fluorobenzamide
CID 113036145
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]butanamide
CID 113036130
N-[5-(3-fluoroanilino)-2-pyridinyl]-4-methylbenzamide
CID 113035866
N-(1,3-benzodioxol-5-yl)-6-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109162602
N-(4-acetylphenyl)-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxamide
CID 109164518
N-(1,3-benzodioxol-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109164809
N-[5-(2-chloroanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113033223

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methylbenzamide (CID 113036144) is N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(Nc3ccc4c(c3)OCO4)cn2)cc1.
What is the InChIKey of N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methylbenzamide?
The InChIKey is GWEJGAUFBUOZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-13-2-4-14(5-3-13)20(24)23-19-9-7-16(11-21-19)22-15-6-8-17-18(10-15)26-12-25-17/h2-11,22H,12H2,1H3,(H,21,23,24).
What are the key properties of N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methylbenzamide?
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methylbenzamide has a molecular weight of 347.37 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 113036144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).