N-ethyl-2-(4-formylpiperazine-1-carbonyl)-N-phenylpyridine-4-carboxamide

C20H22N4O3 — CID 109084799

IUPACN-ethyl-2-(4-formylpiperazine-1-carbonyl)-N-phenylpyridine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(C(=O)N2CCN(C=O)CC2)c1)c1ccccc1
InChIInChI=1S/C20H22N4O3/c1-2-24(17-6-4-3-5-7-17)19(26)16-8-9-21-18(14-16)20(27)23-12-10-22(15-25)11-13-23/h3-9,14-15H,2,10-13H2,1H3
InChIKeyCVOUCRAQNNSLML-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.66
Rot. Bonds5

About N-ethyl-2-(4-formylpiperazine-1-carbonyl)-N-phenylpyridine-4-carboxamide

N-ethyl-2-(4-formylpiperazine-1-carbonyl)-N-phenylpyridine-4-carboxamide (PubChem CID 109084799) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-ethyl-2-(4-formylpiperazine-1-carbonyl)-N-phenylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(4-formylpiperazine-1-carbonyl)-N-phenylpyridine-4-carboxamide
PubChem CID109084799
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-ethyl-2-(4-formylpiperazine-1-carbonyl)-N-phenylpyridine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(C(=O)N2CCN(C=O)CC2)c1)c1ccccc1
InChIInChI=1S/C20H22N4O3/c1-2-24(17-6-4-3-5-7-17)19(26)16-8-9-21-18(14-16)20(27)23-12-10-22(15-25)11-13-23/h3-9,14-15H,2,10-13H2,1H3
InChIKeyCVOUCRAQNNSLML-UHFFFAOYSA-N
XLogP1.66
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[ethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730043
N-ethyl-N-(3-methylphenyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109083104
N-benzyl-N-phenyl-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081326
N-ethyl-2-(4-formylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide
CID 109254527
N-methyl-2-(4-methylpiperazine-1-carbonyl)-N-phenylpyridine-4-carboxamide
CID 109084332
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109088588
N-ethyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylpyridine-4-carboxamide
CID 109092353
2-N-butan-2-yl-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109080221
N,N-diethyl-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084314
2-N-tert-butyl-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109089266
2-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-4-carboxamide
CID 109078029
N,N-diethyl-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053776

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-formylpiperazine-1-carbonyl)-N-phenylpyridine-4-carboxamide?
The IUPAC name of N-ethyl-2-(4-formylpiperazine-1-carbonyl)-N-phenylpyridine-4-carboxamide (CID 109084799) is N-ethyl-2-(4-formylpiperazine-1-carbonyl)-N-phenylpyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-2-(4-formylpiperazine-1-carbonyl)-N-phenylpyridine-4-carboxamide?
The canonical SMILES for N-ethyl-2-(4-formylpiperazine-1-carbonyl)-N-phenylpyridine-4-carboxamide is CCN(C(=O)c1ccnc(C(=O)N2CCN(C=O)CC2)c1)c1ccccc1.
What is the InChIKey of N-ethyl-2-(4-formylpiperazine-1-carbonyl)-N-phenylpyridine-4-carboxamide?
The InChIKey is CVOUCRAQNNSLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-2-24(17-6-4-3-5-7-17)19(26)16-8-9-21-18(14-16)20(27)23-12-10-22(15-25)11-13-23/h3-9,14-15H,2,10-13H2,1H3.
What are the key properties of N-ethyl-2-(4-formylpiperazine-1-carbonyl)-N-phenylpyridine-4-carboxamide?
N-ethyl-2-(4-formylpiperazine-1-carbonyl)-N-phenylpyridine-4-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-formylpiperazine-1-carbonyl)-N-phenylpyridine-4-carboxamide is sourced from PubChem (CID 109084799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).