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

C19H17ClN4O — CID 25218455

IUPACN-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]benzamide
SMILESC[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C19H17ClN4O/c1-13(22-18-12-21-11-17(20)24-18)15-8-5-9-16(10-15)23-19(25)14-6-3-2-4-7-14/h2-13H,1H3,(H,22,24)(H,23,25)/t13-/m0/s1
InChIKeyOTLNHMVIODLLPT-ZDUSSCGKSA-N
MW352.83 g/mol
LogP4.56
Rot. Bonds5

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

N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]benzamide (PubChem CID 25218455) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]benzamide
PubChem CID25218455
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC NameN-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]benzamide
SMILESC[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C19H17ClN4O/c1-13(22-18-12-21-11-17(20)24-18)15-8-5-9-16(10-15)23-19(25)14-6-3-2-4-7-14/h2-13H,1H3,(H,22,24)(H,23,25)/t13-/m0/s1
InChIKeyOTLNHMVIODLLPT-ZDUSSCGKSA-N
XLogP4.56
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]benzamide?
The IUPAC name of N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]benzamide (CID 25218455) is N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]benzamide.
What is the SMILES notation for N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]benzamide?
The canonical SMILES for N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]benzamide is C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]benzamide?
The InChIKey is OTLNHMVIODLLPT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-13(22-18-12-21-11-17(20)24-18)15-8-5-9-16(10-15)23-19(25)14-6-3-2-4-7-14/h2-13H,1H3,(H,22,24)(H,23,25)/t13-/m0/s1.
What are the key properties of N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]benzamide?
N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]benzamide has a molecular weight of 352.83 g/mol, XLogP of 4.56, 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]benzamide is sourced from PubChem (CID 25218455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).