4-(4-formylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide

C19H22N4O2 — CID 109208875

IUPAC4-(4-formylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide
SMILESO=CN1CCN(c2ccnc(C(=O)NCCc3ccccc3)c2)CC1
InChIInChI=1S/C19H22N4O2/c24-15-22-10-12-23(13-11-22)17-7-9-20-18(14-17)19(25)21-8-6-16-4-2-1-3-5-16/h1-5,7,9,14-15H,6,8,10-13H2,(H,21,25)
InChIKeyQNNOSXQKUIWNRK-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.33
Rot. Bonds6

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

4-(4-formylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide (PubChem CID 109208875) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-(4-formylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-formylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide
PubChem CID109208875
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name4-(4-formylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide
SMILESO=CN1CCN(c2ccnc(C(=O)NCCc3ccccc3)c2)CC1
InChIInChI=1S/C19H22N4O2/c24-15-22-10-12-23(13-11-22)17-7-9-20-18(14-17)19(25)21-8-6-16-4-2-1-3-5-16/h1-5,7,9,14-15H,6,8,10-13H2,(H,21,25)
InChIKeyQNNOSXQKUIWNRK-UHFFFAOYSA-N
XLogP1.33
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-formylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-fluorophenyl)ethyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208878
4-morpholin-4-yl-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109206585
4-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109208888
N-(3-phenylpropyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204611
4-(4-formylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109084664
N-(2,6-difluorophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209004
4-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 109215435
N-benzyl-N-ethyl-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208871
4-(4-formylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 109201305
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213564
4-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
CID 109202122
N-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209654

Frequently Asked Questions

What is the IUPAC name of 4-(4-formylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-formylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide (CID 109208875) is 4-(4-formylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-formylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-formylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide is O=CN1CCN(c2ccnc(C(=O)NCCc3ccccc3)c2)CC1.
What is the InChIKey of 4-(4-formylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide?
The InChIKey is QNNOSXQKUIWNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-15-22-10-12-23(13-11-22)17-7-9-20-18(14-17)19(25)21-8-6-16-4-2-1-3-5-16/h1-5,7,9,14-15H,6,8,10-13H2,(H,21,25).
What are the key properties of 4-(4-formylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide?
4-(4-formylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-formylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109208875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).