N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]piperidine-3-carboxamide

C25H27N7O — CID 10252763

IUPACN-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]piperidine-3-carboxamide
SMILESC[C@H](Nc1cncc(-n2cnc3cc(NC(=O)C4CCCNC4)ccc32)n1)c1ccccc1
InChIInChI=1S/C25H27N7O/c1-17(18-6-3-2-4-7-18)29-23-14-27-15-24(31-23)32-16-28-21-12-20(9-10-22(21)32)30-25(33)19-8-5-11-26-13-19/h2-4,6-7,9-10,12,14-17,19,26H,5,8,11,13H2,1H3,(H,29,31)(H,30,33)/t17-,19?/m0/s1
InChIKeyLZXCLLAWIAOUIR-KKFHFHRHSA-N
MW441.54 g/mol
LogP3.93
Rot. Bonds6

About N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]piperidine-3-carboxamide

N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]piperidine-3-carboxamide (PubChem CID 10252763) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]piperidine-3-carboxamide
PubChem CID10252763
Molecular FormulaC25H27N7O
Molecular Weight441.54 g/mol
Exact Mass441.23
IUPAC NameN-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]piperidine-3-carboxamide
SMILESC[C@H](Nc1cncc(-n2cnc3cc(NC(=O)C4CCCNC4)ccc32)n1)c1ccccc1
InChIInChI=1S/C25H27N7O/c1-17(18-6-3-2-4-7-18)29-23-14-27-15-24(31-23)32-16-28-21-12-20(9-10-22(21)32)30-25(33)19-8-5-11-26-13-19/h2-4,6-7,9-10,12,14-17,19,26H,5,8,11,13H2,1H3,(H,29,31)(H,30,33)/t17-,19?/m0/s1
InChIKeyLZXCLLAWIAOUIR-KKFHFHRHSA-N
XLogP3.93
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

N-[1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]cyclopropanecarboxamide
CID 85141042
N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]acetamide
CID 10384652
2,2-dimethyl-N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]propanamide
CID 10476898
N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]benzamide
CID 10433058
N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 18342799
N-[4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide
CID 119300277
N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
CID 59783930
N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]pyrazine-2-carboxamide
CID 10026029
N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide
CID 119300297
N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119300296
N-[3-[(1S)-1-[[6-(3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]piperidine-3-carboxamide
CID 59331665
6-imidazo[4,5-c]pyridin-3-yl-N-[(1S)-1-phenylethyl]pyrazin-2-amine
CID 10358390

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]piperidine-3-carboxamide?
The IUPAC name of N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]piperidine-3-carboxamide (CID 10252763) is N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]piperidine-3-carboxamide is C[C@H](Nc1cncc(-n2cnc3cc(NC(=O)C4CCCNC4)ccc32)n1)c1ccccc1.
What is the InChIKey of N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]piperidine-3-carboxamide?
The InChIKey is LZXCLLAWIAOUIR-KKFHFHRHSA-N. The full InChI is InChI=1S/C25H27N7O/c1-17(18-6-3-2-4-7-18)29-23-14-27-15-24(31-23)32-16-28-21-12-20(9-10-22(21)32)30-25(33)19-8-5-11-26-13-19/h2-4,6-7,9-10,12,14-17,19,26H,5,8,11,13H2,1H3,(H,29,31)(H,30,33)/t17-,19?/m0/s1.
What are the key properties of N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]piperidine-3-carboxamide?
N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]piperidine-3-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]piperidine-3-carboxamide is sourced from PubChem (CID 10252763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).