N-[3-[(1S)-1-[[6-(4-amino-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide

C26H26N6O2 — CID 59331690

IUPACN-[3-[(1S)-1-[[6-(4-amino-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
SMILESCOc1cc(-c2cncc(N[C@@H](C)c3cccc(NC(=O)c4cncc(C)c4)c3)n2)ccc1N
InChIInChI=1S/C26H26N6O2/c1-16-9-20(13-28-12-16)26(33)31-21-6-4-5-18(10-21)17(2)30-25-15-29-14-23(32-25)19-7-8-22(27)24(11-19)34-3/h4-15,17H,27H2,1-3H3,(H,30,32)(H,31,33)/t17-/m0/s1
InChIKeyGOXJKUXZIQCLJL-KRWDZBQOSA-N
MW454.53 g/mol
LogP4.86
Rot. Bonds7

About N-[3-[(1S)-1-[[6-(4-amino-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide

N-[3-[(1S)-1-[[6-(4-amino-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide (PubChem CID 59331690) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[3-[(1S)-1-[[6-(4-amino-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(1S)-1-[[6-(4-amino-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
PubChem CID59331690
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC NameN-[3-[(1S)-1-[[6-(4-amino-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
SMILESCOc1cc(-c2cncc(N[C@@H](C)c3cccc(NC(=O)c4cncc(C)c4)c3)n2)ccc1N
InChIInChI=1S/C26H26N6O2/c1-16-9-20(13-28-12-16)26(33)31-21-6-4-5-18(10-21)17(2)30-25-15-29-14-23(32-25)19-7-8-22(27)24(11-19)34-3/h4-15,17H,27H2,1-3H3,(H,30,32)(H,31,33)/t17-/m0/s1
InChIKeyGOXJKUXZIQCLJL-KRWDZBQOSA-N
XLogP4.86
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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5-methyl-N-[3-[(1S)-1-(pyrido[2,3-b]pyrazin-3-ylamino)ethyl]phenyl]pyridine-3-carboxamide
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N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-3-methylbenzamide
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N-[4-[(1R)-1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]pyridine-3-carboxamide
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5-methyl-N-[3-[1-(quinoxalin-2-ylamino)ethyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
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N-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
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N-[3-[(1S)-1-[(5-amino-4-ethenyl-3-pyridinyl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;molecular hydrogen
CID 155750048
5-methyl-N-[3-[(1S)-1-(thieno[3,2-b]pyridin-6-ylamino)ethyl]phenyl]pyridine-3-carboxamide
CID 155451356
N-[3-[(1S)-1-[[6-(3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]piperidine-3-carboxamide
CID 59331665
N-[3-[(1S)-1-[[6-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]-3-methylbenzamide
CID 59331766
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

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S)-1-[[6-(4-amino-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-[3-[(1S)-1-[[6-(4-amino-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide (CID 59331690) is N-[3-[(1S)-1-[[6-(4-amino-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(1S)-1-[[6-(4-amino-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-[3-[(1S)-1-[[6-(4-amino-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide is COc1cc(-c2cncc(N[C@@H](C)c3cccc(NC(=O)c4cncc(C)c4)c3)n2)ccc1N.
What is the InChIKey of N-[3-[(1S)-1-[[6-(4-amino-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide?
The InChIKey is GOXJKUXZIQCLJL-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-16-9-20(13-28-12-16)26(33)31-21-6-4-5-18(10-21)17(2)30-25-15-29-14-23(32-25)19-7-8-22(27)24(11-19)34-3/h4-15,17H,27H2,1-3H3,(H,30,32)(H,31,33)/t17-/m0/s1.
What are the key properties of N-[3-[(1S)-1-[[6-(4-amino-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide?
N-[3-[(1S)-1-[[6-(4-amino-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 4.86, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1S)-1-[[6-(4-amino-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 59331690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).