2-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide

C21H24N4O3 — CID 109084801

IUPAC2-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccnc(C(=O)N2CCN(C=O)CC2)c1
InChIInChI=1S/C21H24N4O3/c1-15(2)17-5-3-4-6-18(17)23-20(27)16-7-8-22-19(13-16)21(28)25-11-9-24(14-26)10-12-25/h3-8,13-15H,9-12H2,1-2H3,(H,23,27)
InChIKeyAEMBAWRUMZZSTE-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.37
Rot. Bonds5

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

2-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide (PubChem CID 109084801) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide
PubChem CID109084801
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccnc(C(=O)N2CCN(C=O)CC2)c1
InChIInChI=1S/C21H24N4O3/c1-15(2)17-5-3-4-6-18(17)23-20(27)16-7-8-22-19(13-16)21(28)25-11-9-24(14-26)10-12-25/h3-8,13-15H,9-12H2,1-2H3,(H,23,27)
InChIKeyAEMBAWRUMZZSTE-UHFFFAOYSA-N
XLogP2.37
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109084818
2-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-4-carboxamide
CID 109078029
4-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109208933
N-(4-chloro-2-methylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084815
2-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109084786
N-(4-acetylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084830
N-(2-chlorophenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084701
4-[2-(2-propan-2-ylanilino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109302903
N-(2,3-dimethylphenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084687
N-cyclopropyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109078421
2-N-methyl-2-N-phenyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109091478
N-cyclopentyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109080701

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide (CID 109084801) is 2-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide is CC(C)c1ccccc1NC(=O)c1ccnc(C(=O)N2CCN(C=O)CC2)c1.
What is the InChIKey of 2-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide?
The InChIKey is AEMBAWRUMZZSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-15(2)17-5-3-4-6-18(17)23-20(27)16-7-8-22-19(13-16)21(28)25-11-9-24(14-26)10-12-25/h3-8,13-15H,9-12H2,1-2H3,(H,23,27).
What are the key properties of 2-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide?
2-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109084801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).