N-[2-(4-fluorophenyl)ethyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide

C19H21FN4O2 — CID 109208878

IUPACN-[2-(4-fluorophenyl)ethyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
SMILESO=CN1CCN(c2ccnc(C(=O)NCCc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C19H21FN4O2/c20-16-3-1-15(2-4-16)5-7-22-19(26)18-13-17(6-8-21-18)24-11-9-23(14-25)10-12-24/h1-4,6,8,13-14H,5,7,9-12H2,(H,22,26)
InChIKeySTQIWENLTDPFKW-UHFFFAOYSA-N
MW356.40 g/mol
LogP1.47
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide

N-[2-(4-fluorophenyl)ethyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 109208878) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID109208878
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
SMILESO=CN1CCN(c2ccnc(C(=O)NCCc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C19H21FN4O2/c20-16-3-1-15(2-4-16)5-7-22-19(26)18-13-17(6-8-21-18)24-11-9-23(14-25)10-12-24/h1-4,6,8,13-14H,5,7,9-12H2,(H,22,26)
InChIKeySTQIWENLTDPFKW-UHFFFAOYSA-N
XLogP1.47
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 51.47
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

4-(4-formylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109208875
4-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109208888
4-morpholin-4-yl-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109206585
N-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109211394
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-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080350
N-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109207121
N-[2-(4-fluorophenyl)ethyl]-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214099
2-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087697
4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213527
4-(4-formylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 109201305

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide (CID 109208878) is N-[2-(4-fluorophenyl)ethyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide is O=CN1CCN(c2ccnc(C(=O)NCCc3ccc(F)cc3)c2)CC1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is STQIWENLTDPFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c20-16-3-1-15(2-4-16)5-7-22-19(26)18-13-17(6-8-21-18)24-11-9-23(14-25)10-12-24/h1-4,6,8,13-14H,5,7,9-12H2,(H,22,26).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109208878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).