5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide

C20H24N4O3 — CID 109230971

IUPAC5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cncc(N2CCN(C=O)CC2)c1
InChIInChI=1S/C20H24N4O3/c1-15(2)27-19-6-4-3-5-18(19)22-20(26)16-11-17(13-21-12-16)24-9-7-23(14-25)8-10-24/h3-6,11-15H,7-10H2,1-2H3,(H,22,26)
InChIKeyHGGXPBMIHPEZFM-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.40
Rot. Bonds6

About 5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide

5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide (PubChem CID 109230971) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
PubChem CID109230971
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cncc(N2CCN(C=O)CC2)c1
InChIInChI=1S/C20H24N4O3/c1-15(2)27-19-6-4-3-5-18(19)22-20(26)16-11-17(13-21-12-16)24-9-7-23(14-25)8-10-24/h3-6,11-15H,7-10H2,1-2H3,(H,22,26)
InChIKeyHGGXPBMIHPEZFM-UHFFFAOYSA-N
XLogP2.40
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230953
N-(2-tert-butylphenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230949
N-(4-fluorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230952
methyl 4-[[5-(4-formylpiperazin-1-yl)pyridine-3-carbonyl]amino]benzoate
CID 109230985
5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109278980
3-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)benzamide
CID 109053830
5-(piperidine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109102949
N-(4-ethylphenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230941
N-butan-2-yl-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109225130
5-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109241366
N-(2-ethoxyphenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109227298
3-N-benzyl-5-N-(2-propan-2-yloxyphenyl)pyridine-3,5-dicarboxamide
CID 109105054

Frequently Asked Questions

What is the IUPAC name of 5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide (CID 109230971) is 5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide is CC(C)Oc1ccccc1NC(=O)c1cncc(N2CCN(C=O)CC2)c1.
What is the InChIKey of 5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The InChIKey is HGGXPBMIHPEZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-15(2)27-19-6-4-3-5-18(19)22-20(26)16-11-17(13-21-12-16)24-9-7-23(14-25)8-10-24/h3-6,11-15H,7-10H2,1-2H3,(H,22,26).
What are the key properties of 5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109230971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).