N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide

C19H18ClN5O — CID 25218453

IUPACN-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2cccc([C@H](C)Nc3cncc(Cl)n3)c2)c1
InChIInChI=1S/C19H18ClN5O/c1-12-6-15(9-21-8-12)19(26)24-16-5-3-4-14(7-16)13(2)23-18-11-22-10-17(20)25-18/h3-11,13H,1-2H3,(H,23,25)(H,24,26)/t13-/m0/s1
InChIKeyZOIKCWYGLUSHBS-ZDUSSCGKSA-N
MW367.84 g/mol
LogP4.26
Rot. Bonds5

About N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide

N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide (PubChem CID 25218453) 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]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
PubChem CID25218453
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC NameN-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2cccc([C@H](C)Nc3cncc(Cl)n3)c2)c1
InChIInChI=1S/C19H18ClN5O/c1-12-6-15(9-21-8-12)19(26)24-16-5-3-4-14(7-16)13(2)23-18-11-22-10-17(20)25-18/h3-11,13H,1-2H3,(H,23,25)(H,24,26)/t13-/m0/s1
InChIKeyZOIKCWYGLUSHBS-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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Related Compounds

CID 4463
CID 4463
CID 107867
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CID 4848
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CID 71405
CID 71405
CID 50922681
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CID 11315474
CID 11315474
CID 453331
CID 453331
CID 135905416
CID 135905416
CID 119357
CID 119357
CID 112029
CID 112029
CID 453308
CID 453308
CID 453309
CID 453309

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide (CID 25218453) is N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide is Cc1cncc(C(=O)Nc2cccc([C@H](C)Nc3cncc(Cl)n3)c2)c1.
What is the InChIKey of N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide?
The InChIKey is ZOIKCWYGLUSHBS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-12-6-15(9-21-8-12)19(26)24-16-5-3-4-14(7-16)13(2)23-18-11-22-10-17(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]-5-methylpyridine-3-carboxamide?
N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-5-methylpyridine-3-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]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 25218453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).