2-formyl-4-[4-(5-formyl-2-pyridinyl)piperazin-1-yl]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide

C25H29N5O5 — CID 164865430

IUPAC2-formyl-4-[4-(5-formyl-2-pyridinyl)piperazin-1-yl]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
SMILESCNC(=O)C(CCC=O)N(C)C(=O)c1ccc(N2CCN(c3ccc(C=O)cn3)CC2)cc1C=O
InChIInChI=1S/C25H29N5O5/c1-26-24(34)22(4-3-13-31)28(2)25(35)21-7-6-20(14-19(21)17-33)29-9-11-30(12-10-29)23-8-5-18(16-32)15-27-23/h5-8,13-17,22H,3-4,9-12H2,1-2H3,(H,26,34)
InChIKeyNYPITNXLKSRVOA-UHFFFAOYSA-N
MW479.54 g/mol
LogP1.20
Rot. Bonds10

About 2-formyl-4-[4-(5-formyl-2-pyridinyl)piperazin-1-yl]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide

2-formyl-4-[4-(5-formyl-2-pyridinyl)piperazin-1-yl]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide (PubChem CID 164865430) has the molecular formula C25H29N5O5 and a molecular weight of 479.54 g/mol. Its IUPAC name is 2-formyl-4-[4-(5-formyl-2-pyridinyl)piperazin-1-yl]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide.

Molecular Properties

Compound Name2-formyl-4-[4-(5-formyl-2-pyridinyl)piperazin-1-yl]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
PubChem CID164865430
Molecular FormulaC25H29N5O5
Molecular Weight479.54 g/mol
Exact Mass479.22
IUPAC Name2-formyl-4-[4-(5-formyl-2-pyridinyl)piperazin-1-yl]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
SMILESCNC(=O)C(CCC=O)N(C)C(=O)c1ccc(N2CCN(c3ccc(C=O)cn3)CC2)cc1C=O
InChIInChI=1S/C25H29N5O5/c1-26-24(34)22(4-3-13-31)28(2)25(35)21-7-6-20(14-19(21)17-33)29-9-11-30(12-10-29)23-8-5-18(16-32)15-27-23/h5-8,13-17,22H,3-4,9-12H2,1-2H3,(H,26,34)
InChIKeyNYPITNXLKSRVOA-UHFFFAOYSA-N
XLogP1.20
TPSA119.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-(4-oxopiperidin-1-yl)benzamide
CID 167151611
3-[4-[3-formyl-4-[methyl-[1-(methylamino)-1,5-dioxopentan-2-yl]carbamoyl]phenyl]piperazin-1-yl]propanoic acid
CID 166831877
2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]benzamide
CID 167282781
2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-5-[4-[1-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-4-yl]piperazin-1-yl]benzamide
CID 167480630
ethane;2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 171641510
2-formyl-5-[4-[[2-(5-formylpyrazin-2-yl)-2,7-diazaspiro[3.5]nonan-7-yl]methyl]azepan-1-yl]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 155219441
2-formyl-4-[5-(4-hydroxybutoxy)pentoxy]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 142365374
N-(1-formamido-1-oxopentan-2-yl)-2-formyl-N-methyl-4-[4-(5-methyloctyl)piperazin-1-yl]benzamide
CID 156819845
5-[3-[3-(4-aminopiperidin-1-yl)sulfinylphenoxy]azetidin-1-yl]-2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 178004803
2-formyl-4-[5-[4-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperazin-1-yl]pentylamino]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 174264416
5-fluoro-N,2-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 170737850
6-(4-phenylpiperazin-1-yl)pyridine-3-carbaldehyde
CID 80638888

Frequently Asked Questions

What is the IUPAC name of 2-formyl-4-[4-(5-formyl-2-pyridinyl)piperazin-1-yl]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide?
The IUPAC name of 2-formyl-4-[4-(5-formyl-2-pyridinyl)piperazin-1-yl]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide (CID 164865430) is 2-formyl-4-[4-(5-formyl-2-pyridinyl)piperazin-1-yl]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide.
What is the SMILES notation for 2-formyl-4-[4-(5-formyl-2-pyridinyl)piperazin-1-yl]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide?
The canonical SMILES for 2-formyl-4-[4-(5-formyl-2-pyridinyl)piperazin-1-yl]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide is CNC(=O)C(CCC=O)N(C)C(=O)c1ccc(N2CCN(c3ccc(C=O)cn3)CC2)cc1C=O.
What is the InChIKey of 2-formyl-4-[4-(5-formyl-2-pyridinyl)piperazin-1-yl]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide?
The InChIKey is NYPITNXLKSRVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O5/c1-26-24(34)22(4-3-13-31)28(2)25(35)21-7-6-20(14-19(21)17-33)29-9-11-30(12-10-29)23-8-5-18(16-32)15-27-23/h5-8,13-17,22H,3-4,9-12H2,1-2H3,(H,26,34).
What are the key properties of 2-formyl-4-[4-(5-formyl-2-pyridinyl)piperazin-1-yl]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide?
2-formyl-4-[4-(5-formyl-2-pyridinyl)piperazin-1-yl]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide has a molecular weight of 479.54 g/mol, XLogP of 1.20, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-4-[4-(5-formyl-2-pyridinyl)piperazin-1-yl]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide is sourced from PubChem (CID 164865430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).