N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide

C25H26N4O3 — CID 143955756

IUPACN-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1)c1cccnc1
InChIInChI=1S/C25H26N4O3/c30-24(18-27-25(31)21-7-4-12-26-17-21)29-15-13-28(14-16-29)22-8-10-23(11-9-22)32-19-20-5-2-1-3-6-20/h1-12,17H,13-16,18-19H2,(H,27,31)
InChIKeySCASAAKKEACQEV-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.74
Rot. Bonds7

About N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide

N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide (PubChem CID 143955756) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide
PubChem CID143955756
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1)c1cccnc1
InChIInChI=1S/C25H26N4O3/c30-24(18-27-25(31)21-7-4-12-26-17-21)29-15-13-28(14-16-29)22-8-10-23(11-9-22)32-19-20-5-2-1-3-6-20/h1-12,17H,13-16,18-19H2,(H,27,31)
InChIKeySCASAAKKEACQEV-UHFFFAOYSA-N
XLogP2.74
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-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

4-fluoro-N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 58462406
2-bromo-N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide
CID 58462380
[3-[[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]carbamoyl]phenyl] acetate
CID 58462415
acetic acid;[3-[[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]carbamoyl]phenyl] acetate
CID 66886796
4-phenylmethoxy-N-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 166495125
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-pyridin-3-ylacetamide
CID 113097945
1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-one
CID 90876902
2-chloro-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone
CID 58117978
4-fluoro-N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]benzamide;3-(3-fluoroprop-1-ynyl)-N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]benzamide;4-(3-fluoroprop-1-ynyl)-N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 160910536
N-[2-[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide
CID 136587839
2-iodo-N-[2-oxo-2-[4-(5-phenylmethoxypyrimidin-2-yl)piperazin-1-yl]ethyl]pyridine-4-carboxamide
CID 53378312

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide (CID 143955756) is N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide is O=C(NCC(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1)c1cccnc1.
What is the InChIKey of N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is SCASAAKKEACQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c30-24(18-27-25(31)21-7-4-12-26-17-21)29-15-13-28(14-16-29)22-8-10-23(11-9-22)32-19-20-5-2-1-3-6-20/h1-12,17H,13-16,18-19H2,(H,27,31).
What are the key properties of N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide?
N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 143955756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).