4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazine-1-carboxamide

C21H23N9O2 — CID 129245371

IUPAC4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazine-1-carboxamide
SMILESCc1noc(-c2ccc3nc(Nc4cc(CN5CCN(C(N)=O)CC5)ccn4)[nH]c3c2)n1
InChIInChI=1S/C21H23N9O2/c1-13-24-19(32-28-13)15-2-3-16-17(11-15)26-21(25-16)27-18-10-14(4-5-23-18)12-29-6-8-30(9-7-29)20(22)31/h2-5,10-11H,6-9,12H2,1H3,(H2,22,31)(H2,23,25,26,27)
InChIKeyGIXOLZGCFNZATR-UHFFFAOYSA-N
MW433.48 g/mol
LogP2.26
Rot. Bonds5

About 4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazine-1-carboxamide

4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazine-1-carboxamide (PubChem CID 129245371) has the molecular formula C21H23N9O2 and a molecular weight of 433.48 g/mol. Its IUPAC name is 4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazine-1-carboxamide
PubChem CID129245371
Molecular FormulaC21H23N9O2
Molecular Weight433.48 g/mol
Exact Mass433.20
IUPAC Name4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazine-1-carboxamide
SMILESCc1noc(-c2ccc3nc(Nc4cc(CN5CCN(C(N)=O)CC5)ccn4)[nH]c3c2)n1
InChIInChI=1S/C21H23N9O2/c1-13-24-19(32-28-13)15-2-3-16-17(11-15)26-21(25-16)27-18-10-14(4-5-23-18)12-29-6-8-30(9-7-29)20(22)31/h2-5,10-11H,6-9,12H2,1H3,(H2,22,31)(H2,23,25,26,27)
InChIKeyGIXOLZGCFNZATR-UHFFFAOYSA-N
XLogP2.26
TPSA142.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazine-1-carboxamide (CID 129245371) is 4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazine-1-carboxamide is Cc1noc(-c2ccc3nc(Nc4cc(CN5CCN(C(N)=O)CC5)ccn4)[nH]c3c2)n1.
What is the InChIKey of 4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazine-1-carboxamide?
The InChIKey is GIXOLZGCFNZATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N9O2/c1-13-24-19(32-28-13)15-2-3-16-17(11-15)26-21(25-16)27-18-10-14(4-5-23-18)12-29-6-8-30(9-7-29)20(22)31/h2-5,10-11H,6-9,12H2,1H3,(H2,22,31)(H2,23,25,26,27).
What are the key properties of 4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazine-1-carboxamide?
4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazine-1-carboxamide has a molecular weight of 433.48 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 129245371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).