5-methyl-N-[3-[(1S)-1-(pyrido[2,3-b]pyrazin-3-ylamino)ethyl]phenyl]pyridine-3-carboxamide

C22H20N6O — CID 155437884

IUPAC5-methyl-N-[3-[(1S)-1-(pyrido[2,3-b]pyrazin-3-ylamino)ethyl]phenyl]pyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2cccc([C@H](C)Nc3cnc4cccnc4n3)c2)c1
InChIInChI=1S/C22H20N6O/c1-14-9-17(12-23-11-14)22(29)27-18-6-3-5-16(10-18)15(2)26-20-13-25-19-7-4-8-24-21(19)28-20/h3-13,15H,1-2H3,(H,27,29)(H,24,26,28)/t15-/m0/s1
InChIKeyGLWPKDRORVJETC-HNNXBMFYSA-N
MW384.44 g/mol
LogP4.15
Rot. Bonds5

About 5-methyl-N-[3-[(1S)-1-(pyrido[2,3-b]pyrazin-3-ylamino)ethyl]phenyl]pyridine-3-carboxamide

5-methyl-N-[3-[(1S)-1-(pyrido[2,3-b]pyrazin-3-ylamino)ethyl]phenyl]pyridine-3-carboxamide (PubChem CID 155437884) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-methyl-N-[3-[(1S)-1-(pyrido[2,3-b]pyrazin-3-ylamino)ethyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-[(1S)-1-(pyrido[2,3-b]pyrazin-3-ylamino)ethyl]phenyl]pyridine-3-carboxamide
PubChem CID155437884
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name5-methyl-N-[3-[(1S)-1-(pyrido[2,3-b]pyrazin-3-ylamino)ethyl]phenyl]pyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2cccc([C@H](C)Nc3cnc4cccnc4n3)c2)c1
InChIInChI=1S/C22H20N6O/c1-14-9-17(12-23-11-14)22(29)27-18-6-3-5-16(10-18)15(2)26-20-13-25-19-7-4-8-24-21(19)28-20/h3-13,15H,1-2H3,(H,27,29)(H,24,26,28)/t15-/m0/s1
InChIKeyGLWPKDRORVJETC-HNNXBMFYSA-N
XLogP4.15
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[3-[1-(quinoxalin-2-ylamino)ethyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155438171
N-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
CID 155438884
5-methyl-N-[3-[(1S)-1-(thieno[3,2-b]pyridin-6-ylamino)ethyl]phenyl]pyridine-3-carboxamide
CID 155451356
N-[3-[(1S)-1-[(7-methoxyquinolin-3-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
CID 155451451
N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-3-methylbenzamide
CID 25218459
N-[3-[(1S)-1-[[6-(4-amino-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
CID 59331690
N-[3-[(1S)-1-[[6-[4-(hydroxyamino)-3-methoxyphenyl]pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
CID 136948358
5-methyl-N-[3-[1-[(7-methyl-2-aza-7-azoniabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-4-yl)amino]ethyl]phenyl]pyridine-3-carboxamide
CID 155750544
N-[3-[1-[[6-(ethenylamino)-5-methyl-3-pyridinyl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
CID 155750025
5-(ethoxymethyl)-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyridine-3-carboxamide
CID 175850087
5-methyl-N-[3-[(quinoxalin-2-ylamino)methyl]phenyl]pyridine-3-carboxamide
CID 175850177
N-[3-[(1S)-1-[(5-amino-4-ethenyl-3-pyridinyl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;molecular hydrogen
CID 155750048

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-[(1S)-1-(pyrido[2,3-b]pyrazin-3-ylamino)ethyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-methyl-N-[3-[(1S)-1-(pyrido[2,3-b]pyrazin-3-ylamino)ethyl]phenyl]pyridine-3-carboxamide (CID 155437884) is 5-methyl-N-[3-[(1S)-1-(pyrido[2,3-b]pyrazin-3-ylamino)ethyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-[(1S)-1-(pyrido[2,3-b]pyrazin-3-ylamino)ethyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-methyl-N-[3-[(1S)-1-(pyrido[2,3-b]pyrazin-3-ylamino)ethyl]phenyl]pyridine-3-carboxamide is Cc1cncc(C(=O)Nc2cccc([C@H](C)Nc3cnc4cccnc4n3)c2)c1.
What is the InChIKey of 5-methyl-N-[3-[(1S)-1-(pyrido[2,3-b]pyrazin-3-ylamino)ethyl]phenyl]pyridine-3-carboxamide?
The InChIKey is GLWPKDRORVJETC-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H20N6O/c1-14-9-17(12-23-11-14)22(29)27-18-6-3-5-16(10-18)15(2)26-20-13-25-19-7-4-8-24-21(19)28-20/h3-13,15H,1-2H3,(H,27,29)(H,24,26,28)/t15-/m0/s1.
What are the key properties of 5-methyl-N-[3-[(1S)-1-(pyrido[2,3-b]pyrazin-3-ylamino)ethyl]phenyl]pyridine-3-carboxamide?
5-methyl-N-[3-[(1S)-1-(pyrido[2,3-b]pyrazin-3-ylamino)ethyl]phenyl]pyridine-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-[(1S)-1-(pyrido[2,3-b]pyrazin-3-ylamino)ethyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 155437884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).