N-[3-chloro-4-(1-phenylethylamino)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

C24H26ClN5O — CID 71685358

IUPACN-[3-chloro-4-(1-phenylethylamino)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCC(Nc1ccc(NC(=O)C2CCCN(c3cnccn3)C2)cc1Cl)c1ccccc1
InChIInChI=1S/C24H26ClN5O/c1-17(18-6-3-2-4-7-18)28-22-10-9-20(14-21(22)25)29-24(31)19-8-5-13-30(16-19)23-15-26-11-12-27-23/h2-4,6-7,9-12,14-15,17,19,28H,5,8,13,16H2,1H3,(H,29,31)
InChIKeyNAFGYSUFEFKYJK-UHFFFAOYSA-N
MW435.96 g/mol
LogP5.16
Rot. Bonds6

About N-[3-chloro-4-(1-phenylethylamino)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

N-[3-chloro-4-(1-phenylethylamino)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 71685358) has the molecular formula C24H26ClN5O and a molecular weight of 435.96 g/mol. Its IUPAC name is N-[3-chloro-4-(1-phenylethylamino)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(1-phenylethylamino)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID71685358
Molecular FormulaC24H26ClN5O
Molecular Weight435.96 g/mol
Exact Mass435.18
IUPAC NameN-[3-chloro-4-(1-phenylethylamino)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCC(Nc1ccc(NC(=O)C2CCCN(c3cnccn3)C2)cc1Cl)c1ccccc1
InChIInChI=1S/C24H26ClN5O/c1-17(18-6-3-2-4-7-18)28-22-10-9-20(14-21(22)25)29-24(31)19-8-5-13-30(16-19)23-15-26-11-12-27-23/h2-4,6-7,9-12,14-15,17,19,28H,5,8,13,16H2,1H3,(H,29,31)
InChIKeyNAFGYSUFEFKYJK-UHFFFAOYSA-N
XLogP5.16
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.96
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-chloro-4-(1-phenylethylamino)phenyl]-1-pyrazin-2-ylpiperidine-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

N-(3-propan-2-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46573311
(3R)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94632049
(3S)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94632050
N-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46596626
N-(3-methyl-4-pyridin-3-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 166280142
N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 47024919
(3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37070977
(3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94068386
(3R)-N-[(2S)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94068382
N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide
CID 119300297
N-[3-(dimethylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46597194
(3R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37025382

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(1-phenylethylamino)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[3-chloro-4-(1-phenylethylamino)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 71685358) is N-[3-chloro-4-(1-phenylethylamino)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(1-phenylethylamino)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-(1-phenylethylamino)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is CC(Nc1ccc(NC(=O)C2CCCN(c3cnccn3)C2)cc1Cl)c1ccccc1.
What is the InChIKey of N-[3-chloro-4-(1-phenylethylamino)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is NAFGYSUFEFKYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O/c1-17(18-6-3-2-4-7-18)28-22-10-9-20(14-21(22)25)29-24(31)19-8-5-13-30(16-19)23-15-26-11-12-27-23/h2-4,6-7,9-12,14-15,17,19,28H,5,8,13,16H2,1H3,(H,29,31).
What are the key properties of N-[3-chloro-4-(1-phenylethylamino)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
N-[3-chloro-4-(1-phenylethylamino)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 435.96 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(1-phenylethylamino)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 71685358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).