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

C20H24N4O3 — CID 109208961

IUPAC4-(4-formylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cc(N3CCN(C=O)CC3)ccn2)cc1
InChIInChI=1S/C20H24N4O3/c1-15(2)27-18-5-3-16(4-6-18)22-20(26)19-13-17(7-8-21-19)24-11-9-23(14-25)10-12-24/h3-8,13-15H,9-12H2,1-2H3,(H,22,26)
InChIKeyCUVZBTUAWDXOGF-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.40
Rot. Bonds6

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

4-(4-formylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide (PubChem CID 109208961) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-(4-formylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-formylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
PubChem CID109208961
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name4-(4-formylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cc(N3CCN(C=O)CC3)ccn2)cc1
InChIInChI=1S/C20H24N4O3/c1-15(2)27-18-5-3-16(4-6-18)22-20(26)19-13-17(7-8-21-19)24-11-9-23(14-25)10-12-24/h3-8,13-15H,9-12H2,1-2H3,(H,22,26)
InChIKeyCUVZBTUAWDXOGF-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

4-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109218677
N-[4-(dimethylamino)phenyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208975
4-(4-formylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 109201305
N-(3,5-dimethylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208926
N-(4-cyanophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209001
N-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109215246
4-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109208933
4-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109084711
N-(2,6-difluorophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209004
N-(4-ethoxyphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204671
N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203936
N-(3-chloro-2-methylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208945

Frequently Asked Questions

What is the IUPAC name of 4-(4-formylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-formylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide (CID 109208961) is 4-(4-formylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-formylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-formylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide is CC(C)Oc1ccc(NC(=O)c2cc(N3CCN(C=O)CC3)ccn2)cc1.
What is the InChIKey of 4-(4-formylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide?
The InChIKey is CUVZBTUAWDXOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-15(2)27-18-5-3-16(4-6-18)22-20(26)19-13-17(7-8-21-19)24-11-9-23(14-25)10-12-24/h3-8,13-15H,9-12H2,1-2H3,(H,22,26).
What are the key properties of 4-(4-formylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide?
4-(4-formylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-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 4-(4-formylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109208961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).