N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide

C22H21N3O3 — CID 113032826

IUPACN-[5-(2,4,6-trimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1cc(C)c(Nc2ccc(NC(=O)c3ccc4c(c3)OCO4)nc2)c(C)c1
InChIInChI=1S/C22H21N3O3/c1-13-8-14(2)21(15(3)9-13)24-17-5-7-20(23-11-17)25-22(26)16-4-6-18-19(10-16)28-12-27-18/h4-11,24H,12H2,1-3H3,(H,23,25,26)
InChIKeyWDQNPWLZOSWACI-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.73
Rot. Bonds4

About N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide

N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 113032826) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(2,4,6-trimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
PubChem CID113032826
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[5-(2,4,6-trimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1cc(C)c(Nc2ccc(NC(=O)c3ccc4c(c3)OCO4)nc2)c(C)c1
InChIInChI=1S/C22H21N3O3/c1-13-8-14(2)21(15(3)9-13)24-17-5-7-20(23-11-17)25-22(26)16-4-6-18-19(10-16)28-12-27-18/h4-11,24H,12H2,1-3H3,(H,23,25,26)
InChIKeyWDQNPWLZOSWACI-UHFFFAOYSA-N
XLogP4.73
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2,6-dimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113032271
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methylbenzamide
CID 113036144
N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 669665
N-(1,3-benzodioxol-5-yl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109198757
N-[5-(2-chloroanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113033223
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methoxybenzamide
CID 113036150
N-(5-acetamido-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 166209984
N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113034521
N-(5-chloro-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 952845
N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113025652
N-[6-(4-chloro-2-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113018852
N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 19579239

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide (CID 113032826) is N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide is Cc1cc(C)c(Nc2ccc(NC(=O)c3ccc4c(c3)OCO4)nc2)c(C)c1.
What is the InChIKey of N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is WDQNPWLZOSWACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-13-8-14(2)21(15(3)9-13)24-17-5-7-20(23-11-17)25-22(26)16-4-6-18-19(10-16)28-12-27-18/h4-11,24H,12H2,1-3H3,(H,23,25,26).
What are the key properties of N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide?
N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 113032826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).