N-benzyl-N-ethyl-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide

C20H24N4O2 — CID 109208871

IUPACN-benzyl-N-ethyl-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(N2CCN(C=O)CC2)ccn1
InChIInChI=1S/C20H24N4O2/c1-2-23(15-17-6-4-3-5-7-17)20(26)19-14-18(8-9-21-19)24-12-10-22(16-25)11-13-24/h3-9,14,16H,2,10-13,15H2,1H3
InChIKeyOMSGEXAOELHMES-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.02
Rot. Bonds6

About N-benzyl-N-ethyl-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide

N-benzyl-N-ethyl-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 109208871) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID109208871
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-benzyl-N-ethyl-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(N2CCN(C=O)CC2)ccn1
InChIInChI=1S/C20H24N4O2/c1-2-23(15-17-6-4-3-5-7-17)20(26)19-14-18(8-9-21-19)24-12-10-22(16-25)11-13-24/h3-9,14,16H,2,10-13,15H2,1H3
InChIKeyOMSGEXAOELHMES-UHFFFAOYSA-N
XLogP2.02
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.02
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

N-benzyl-N-ethyl-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203831
N-benzyl-N-ethyl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109212514
4-(4-benzylpiperidin-1-yl)-N,N-diethylpyridine-2-carboxamide
CID 109216380
4-(4-formylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109208875
4-(azepane-1-carbonyl)-N-benzyl-N-ethylpyridine-2-carboxamide
CID 109087072
N-benzyl-N-hydroxy-4-morpholin-4-ylpyridine-2-carboxamide
CID 86681827
N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide
CID 71553275
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 71840355
4-[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde
CID 109208886
4-(N-benzylanilino)-N,N-diethylpyridine-2-carboxamide
CID 109216457
4-(4-formylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 109201305
N-benzyl-N-ethyl-4-(2-methylanilino)pyridine-2-carboxamide
CID 109212519

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide (CID 109208871) is N-benzyl-N-ethyl-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide is CCN(Cc1ccccc1)C(=O)c1cc(N2CCN(C=O)CC2)ccn1.
What is the InChIKey of N-benzyl-N-ethyl-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is OMSGEXAOELHMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-2-23(15-17-6-4-3-5-7-17)20(26)19-14-18(8-9-21-19)24-12-10-22(16-25)11-13-24/h3-9,14,16H,2,10-13,15H2,1H3.
What are the key properties of N-benzyl-N-ethyl-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide?
N-benzyl-N-ethyl-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109208871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).