N-[6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide

C21H19N3O3 — CID 113021601

IUPACN-[6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc(Nc2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C21H19N3O3/c1-14-4-2-3-5-15(14)10-21(25)24-17-7-9-20(22-12-17)23-16-6-8-18-19(11-16)27-13-26-18/h2-9,11-12H,10,13H2,1H3,(H,22,23)(H,24,25)
InChIKeyYRINECQIHLEFLS-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.04
Rot. Bonds5

About N-[6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide

N-[6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide (PubChem CID 113021601) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
PubChem CID113021601
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-[6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc(Nc2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C21H19N3O3/c1-14-4-2-3-5-15(14)10-21(25)24-17-7-9-20(22-12-17)23-16-6-8-18-19(11-16)27-13-26-18/h2-9,11-12H,10,13H2,1H3,(H,22,23)(H,24,25)
InChIKeyYRINECQIHLEFLS-UHFFFAOYSA-N
XLogP4.04
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113023246
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113020114
N-[5-[[2-(2-methylphenyl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 56784483
N-[6-(tert-butylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113014815
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]butanamide
CID 113036130
N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113037616
N-[5-(2-methylanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113031347
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113036157
N-(1,3-benzodioxol-5-yl)-2-(2-bromophenyl)acetamide
CID 113098813
2-(2-methylphenyl)-N-[5-(2-methylpropylamino)-2-pyridinyl]acetamide
CID 113024145
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113035538
1-N'-(1,3-benzodioxol-5-yl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975024

Frequently Asked Questions

What is the IUPAC name of N-[6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide (CID 113021601) is N-[6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)Nc1ccc(Nc2ccc3c(c2)OCO3)nc1.
What is the InChIKey of N-[6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide?
The InChIKey is YRINECQIHLEFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-14-4-2-3-5-15(14)10-21(25)24-17-7-9-20(22-12-17)23-16-6-8-18-19(11-16)27-13-26-18/h2-9,11-12H,10,13H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-[6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide?
N-[6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide has a molecular weight of 361.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 113021601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).