N-(4-acetylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide

C20H20N4O4 — CID 109084830

IUPACN-(4-acetylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccnc(C(=O)N3CCN(C=O)CC3)c2)cc1
InChIInChI=1S/C20H20N4O4/c1-14(26)15-2-4-17(5-3-15)22-19(27)16-6-7-21-18(12-16)20(28)24-10-8-23(13-25)9-11-24/h2-7,12-13H,8-11H2,1H3,(H,22,27)
InChIKeyMIDICXXIXSONGW-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.45
Rot. Bonds5

About N-(4-acetylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide

N-(4-acetylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide (PubChem CID 109084830) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
PubChem CID109084830
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-(4-acetylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccnc(C(=O)N3CCN(C=O)CC3)c2)cc1
InChIInChI=1S/C20H20N4O4/c1-14(26)15-2-4-17(5-3-15)22-19(27)16-6-7-21-18(12-16)20(28)24-10-8-23(13-25)9-11-24/h2-7,12-13H,8-11H2,1H3,(H,22,27)
InChIKeyMIDICXXIXSONGW-UHFFFAOYSA-N
XLogP1.45
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.45
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-(4-acetylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053836
2-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109084786
4-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109084711
2-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-4-carboxamide
CID 109078029
N-[4-(dimethylamino)phenyl]-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084727
N-(4-acetylphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090418
2-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109084801
2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109084818
N-cyclopropyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109078421
N-(4-chloro-2-methylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084815
N-cyclopentyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109080701
N-(4-fluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084353

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide (CID 109084830) is N-(4-acetylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide is CC(=O)c1ccc(NC(=O)c2ccnc(C(=O)N3CCN(C=O)CC3)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide?
The InChIKey is MIDICXXIXSONGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-14(26)15-2-4-17(5-3-15)22-19(27)16-6-7-21-18(12-16)20(28)24-10-8-23(13-25)9-11-24/h2-7,12-13H,8-11H2,1H3,(H,22,27).
What are the key properties of N-(4-acetylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide?
N-(4-acetylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109084830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).