5-(1,3-benzodioxol-5-ylamino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide

C20H21N7O4 — CID 68683834

IUPAC5-(1,3-benzodioxol-5-ylamino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3nnc(Nc4ccc5c(c4)OCO5)o3)cn2)CC1
InChIInChI=1S/C20H21N7O4/c1-26-6-8-27(9-7-26)17-5-3-14(11-21-17)22-18(28)19-24-25-20(31-19)23-13-2-4-15-16(10-13)30-12-29-15/h2-5,10-11H,6-9,12H2,1H3,(H,22,28)(H,23,25)
InChIKeyHUKGKENDMAXADV-UHFFFAOYSA-N
MW423.43 g/mol
LogP1.94
Rot. Bonds5

About 5-(1,3-benzodioxol-5-ylamino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide

5-(1,3-benzodioxol-5-ylamino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 68683834) has the molecular formula C20H21N7O4 and a molecular weight of 423.43 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-ylamino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-ylamino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID68683834
Molecular FormulaC20H21N7O4
Molecular Weight423.43 g/mol
Exact Mass423.17
IUPAC Name5-(1,3-benzodioxol-5-ylamino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3nnc(Nc4ccc5c(c4)OCO5)o3)cn2)CC1
InChIInChI=1S/C20H21N7O4/c1-26-6-8-27(9-7-26)17-5-3-14(11-21-17)22-18(28)19-24-25-20(31-19)23-13-2-4-15-16(10-13)30-12-29-15/h2-5,10-11H,6-9,12H2,1H3,(H,22,28)(H,23,25)
InChIKeyHUKGKENDMAXADV-UHFFFAOYSA-N
XLogP1.94
TPSA117.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-(1,3-benzodioxol-5-ylamino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-(3-methylanilino)-N-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
CID 68684834
5-(3-methoxyanilino)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
CID 11538502
7-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 24628747
1-[5-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylic acid;hydrochloride
CID 68779663
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 126781276
N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186573
4-[5-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid
CID 68684583
N-[6-(4-carbamoylpiperazin-1-yl)-3-pyridinyl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
CID 59464141
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1,3-benzodioxole-5-carboxamide
CID 91967957
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazole-4-carboxamide
CID 24610816
N-[6-(4-benzoylpiperazin-1-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 42850096
N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945921

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-ylamino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-ylamino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide (CID 68683834) is 5-(1,3-benzodioxol-5-ylamino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-ylamino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-ylamino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide is CN1CCN(c2ccc(NC(=O)c3nnc(Nc4ccc5c(c4)OCO5)o3)cn2)CC1.
What is the InChIKey of 5-(1,3-benzodioxol-5-ylamino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is HUKGKENDMAXADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O4/c1-26-6-8-27(9-7-26)17-5-3-14(11-21-17)22-18(28)19-24-25-20(31-19)23-13-2-4-15-16(10-13)30-12-29-15/h2-5,10-11H,6-9,12H2,1H3,(H,22,28)(H,23,25).
What are the key properties of 5-(1,3-benzodioxol-5-ylamino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide?
5-(1,3-benzodioxol-5-ylamino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 423.43 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-ylamino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 68683834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).