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

C19H18ClN5O — CID 25218452

IUPACN-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc([C@H](C)Nc3cncc(Cl)n3)c2)ccn1
InChIInChI=1S/C19H18ClN5O/c1-12-8-15(6-7-22-12)19(26)24-16-5-3-4-14(9-16)13(2)23-18-11-21-10-17(20)25-18/h3-11,13H,1-2H3,(H,23,25)(H,24,26)/t13-/m0/s1
InChIKeyNCWXGHMYPSARCR-ZDUSSCGKSA-N
MW367.84 g/mol
LogP4.26
Rot. Bonds5

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

N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-2-methylpyridine-4-carboxamide (PubChem CID 25218452) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-2-methylpyridine-4-carboxamide
PubChem CID25218452
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC NameN-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc([C@H](C)Nc3cncc(Cl)n3)c2)ccn1
InChIInChI=1S/C19H18ClN5O/c1-12-8-15(6-7-22-12)19(26)24-16-5-3-4-14(9-16)13(2)23-18-11-21-10-17(20)25-18/h3-11,13H,1-2H3,(H,23,25)(H,24,26)/t13-/m0/s1
InChIKeyNCWXGHMYPSARCR-ZDUSSCGKSA-N
XLogP4.26
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-2-methylpyridine-4-carboxamide (CID 25218452) is N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)Nc2cccc([C@H](C)Nc3cncc(Cl)n3)c2)ccn1.
What is the InChIKey of N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-2-methylpyridine-4-carboxamide?
The InChIKey is NCWXGHMYPSARCR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-12-8-15(6-7-22-12)19(26)24-16-5-3-4-14(9-16)13(2)23-18-11-21-10-17(20)25-18/h3-11,13H,1-2H3,(H,23,25)(H,24,26)/t13-/m0/s1.
What are the key properties of N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-2-methylpyridine-4-carboxamide?
N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-2-methylpyridine-4-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 25218452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).