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

C20H17N3O4 — CID 113036150

IUPACN-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccc4c(c3)OCO4)cn2)cc1
InChIInChI=1S/C20H17N3O4/c1-25-16-6-2-13(3-7-16)20(24)23-19-9-5-15(11-21-19)22-14-4-8-17-18(10-14)27-12-26-17/h2-11,22H,12H2,1H3,(H,21,23,24)
InChIKeyYUFTVBCOHVGHSA-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.81
Rot. Bonds5

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

N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methoxybenzamide (PubChem CID 113036150) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methoxybenzamide
PubChem CID113036150
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC NameN-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccc4c(c3)OCO4)cn2)cc1
InChIInChI=1S/C20H17N3O4/c1-25-16-6-2-13(3-7-16)20(24)23-19-9-5-15(11-21-19)22-14-4-8-17-18(10-14)27-12-26-17/h2-11,22H,12H2,1H3,(H,21,23,24)
InChIKeyYUFTVBCOHVGHSA-UHFFFAOYSA-N
XLogP3.81
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methylbenzamide
CID 113036144
N-(1,3-benzodioxol-5-yl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109199937
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032108
N-[5-(3,4-dichloroanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113036697
N-[6-(3-methoxyanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113019421
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-fluorobenzamide
CID 113036145
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109199892
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113032271
N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113032826
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]butanamide
CID 113036130
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

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methoxybenzamide?
The IUPAC name of N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methoxybenzamide (CID 113036150) is N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methoxybenzamide?
The canonical SMILES for N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Nc3ccc4c(c3)OCO4)cn2)cc1.
What is the InChIKey of N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methoxybenzamide?
The InChIKey is YUFTVBCOHVGHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-25-16-6-2-13(3-7-16)20(24)23-19-9-5-15(11-21-19)22-14-4-8-17-18(10-14)27-12-26-17/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-methoxybenzamide?
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methoxybenzamide has a molecular weight of 363.37 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methoxybenzamide is sourced from PubChem (CID 113036150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).