N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-4-methylbenzamide

C20H19ClN4O — CID 25218458

IUPACN-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc([C@H](C)Nc3cncc(Cl)n3)c2)cc1
InChIInChI=1S/C20H19ClN4O/c1-13-6-8-15(9-7-13)20(26)24-17-5-3-4-16(10-17)14(2)23-19-12-22-11-18(21)25-19/h3-12,14H,1-2H3,(H,23,25)(H,24,26)/t14-/m0/s1
InChIKeySNVALHZSCLXGKH-AWEZNQCLSA-N
MW366.85 g/mol
LogP4.86
Rot. Bonds5

About N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-4-methylbenzamide

N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-4-methylbenzamide (PubChem CID 25218458) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-4-methylbenzamide
PubChem CID25218458
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC NameN-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc([C@H](C)Nc3cncc(Cl)n3)c2)cc1
InChIInChI=1S/C20H19ClN4O/c1-13-6-8-15(9-7-13)20(26)24-17-5-3-4-16(10-17)14(2)23-19-12-22-11-18(21)25-19/h3-12,14H,1-2H3,(H,23,25)(H,24,26)/t14-/m0/s1
InChIKeySNVALHZSCLXGKH-AWEZNQCLSA-N
XLogP4.86
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-4-methylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-4-methylbenzamide?
The IUPAC name of N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-4-methylbenzamide (CID 25218458) is N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc([C@H](C)Nc3cncc(Cl)n3)c2)cc1.
What is the InChIKey of N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-4-methylbenzamide?
The InChIKey is SNVALHZSCLXGKH-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-13-6-8-15(9-7-13)20(26)24-17-5-3-4-16(10-17)14(2)23-19-12-22-11-18(21)25-19/h3-12,14H,1-2H3,(H,23,25)(H,24,26)/t14-/m0/s1.
What are the key properties of N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-4-methylbenzamide?
N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-4-methylbenzamide has a molecular weight of 366.85 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 25218458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).