N-[3-[(1S)-1-[[6-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]-3-methylbenzamide

C25H29N5O2 — CID 59331766

IUPACN-[3-[(1S)-1-[[6-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc([C@H](C)Nc3cncc(N4CCC(O)CC4)n3)c2)c1
InChIInChI=1S/C25H29N5O2/c1-17-5-3-7-20(13-17)25(32)28-21-8-4-6-19(14-21)18(2)27-23-15-26-16-24(29-23)30-11-9-22(31)10-12-30/h3-8,13-16,18,22,31H,9-12H2,1-2H3,(H,27,29)(H,28,32)/t18-/m0/s1
InChIKeyVEWNMDIRNGBOPQ-SFHVURJKSA-N
MW431.54 g/mol
LogP4.17
Rot. Bonds6

About N-[3-[(1S)-1-[[6-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]-3-methylbenzamide

N-[3-[(1S)-1-[[6-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]-3-methylbenzamide (PubChem CID 59331766) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[3-[(1S)-1-[[6-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-[(1S)-1-[[6-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]-3-methylbenzamide
PubChem CID59331766
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC NameN-[3-[(1S)-1-[[6-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc([C@H](C)Nc3cncc(N4CCC(O)CC4)n3)c2)c1
InChIInChI=1S/C25H29N5O2/c1-17-5-3-7-20(13-17)25(32)28-21-8-4-6-19(14-21)18(2)27-23-15-26-16-24(29-23)30-11-9-22(31)10-12-30/h3-8,13-16,18,22,31H,9-12H2,1-2H3,(H,27,29)(H,28,32)/t18-/m0/s1
InChIKeyVEWNMDIRNGBOPQ-SFHVURJKSA-N
XLogP4.17
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-3-methylbenzamide
CID 25218459
N-[6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrazin-2-yl]-3-methylbenzamide
CID 44516295
3-methyl-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 41077581
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-[(1S)-1-(pyrido[2,3-b]pyrazin-3-ylamino)ethyl]phenyl]pyridine-3-carboxamide
CID 155437884
N-[3-[1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
CID 155438884
N-[3-[(1S)-1-[[6-(4-amino-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
CID 59331690
N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]benzamide
CID 10433058
5-methyl-N-[3-[1-(quinoxalin-2-ylamino)ethyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155438171
N-[3-[(1S)-1-[(7-methoxyquinolin-3-yl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
CID 155451451
3-chloro-N-[3-[1-[(7-ethyl-2,5-diaza-7-azoniabicyclo[4.2.0]octa-1,3,5,7-tetraen-4-yl)amino]ethyl]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 155750205
1-cyclopropyl-N-[3-[(1S)-1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyrazole-4-carboxamide
CID 175850084

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S)-1-[[6-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[3-[(1S)-1-[[6-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]-3-methylbenzamide (CID 59331766) is N-[3-[(1S)-1-[[6-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-[(1S)-1-[[6-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[3-[(1S)-1-[[6-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2cccc([C@H](C)Nc3cncc(N4CCC(O)CC4)n3)c2)c1.
What is the InChIKey of N-[3-[(1S)-1-[[6-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]-3-methylbenzamide?
The InChIKey is VEWNMDIRNGBOPQ-SFHVURJKSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-17-5-3-7-20(13-17)25(32)28-21-8-4-6-19(14-21)18(2)27-23-15-26-16-24(29-23)30-11-9-22(31)10-12-30/h3-8,13-16,18,22,31H,9-12H2,1-2H3,(H,27,29)(H,28,32)/t18-/m0/s1.
What are the key properties of N-[3-[(1S)-1-[[6-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]-3-methylbenzamide?
N-[3-[(1S)-1-[[6-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]-3-methylbenzamide has a molecular weight of 431.54 g/mol, XLogP of 4.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1S)-1-[[6-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 59331766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).