azepan-1-yl-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone

C19H24N4O — CID 109280403

IUPACazepan-1-yl-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone
SMILESCc1cccc(CNc2cnc(C(=O)N3CCCCCC3)cn2)c1
InChIInChI=1S/C19H24N4O/c1-15-7-6-8-16(11-15)12-21-18-14-20-17(13-22-18)19(24)23-9-4-2-3-5-10-23/h6-8,11,13-14H,2-5,9-10,12H2,1H3,(H,21,22)
InChIKeyDGNUCEVMBBXLFS-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.41
Rot. Bonds4

About azepan-1-yl-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone

azepan-1-yl-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone (PubChem CID 109280403) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is azepan-1-yl-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone
PubChem CID109280403
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Nameazepan-1-yl-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone
SMILESCc1cccc(CNc2cnc(C(=O)N3CCCCCC3)cn2)c1
InChIInChI=1S/C19H24N4O/c1-15-7-6-8-16(11-15)12-21-18-14-20-17(13-22-18)19(24)23-9-4-2-3-5-10-23/h6-8,11,13-14H,2-5,9-10,12H2,1H3,(H,21,22)
InChIKeyDGNUCEVMBBXLFS-UHFFFAOYSA-N
XLogP3.41
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109280389
[5-(benzylamino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109279832
2,3-dihydroindol-1-yl-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone
CID 109280409
[6-methyl-2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322449
[5-[(4-methoxyphenyl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273528
azepan-1-yl-[5-(2-phenylethylamino)pyrazin-2-yl]methanone
CID 109283935
(2-methyl-2,3-dihydroindol-1-yl)-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone
CID 109280473
azepan-1-yl-[5-(furan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109279529
N-(4-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280431
N-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280416
[4-[4-[(3-methylphenyl)methylamino]-6-[4-(piperidine-1-carbonyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-piperidin-1-ylmethanone
CID 142845614
5-[(3-methylphenyl)methylamino]-N-pentylpyrazine-2-carboxamide
CID 109280397

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone?
The IUPAC name of azepan-1-yl-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone (CID 109280403) is azepan-1-yl-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone.
What is the SMILES notation for azepan-1-yl-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone?
The canonical SMILES for azepan-1-yl-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone is Cc1cccc(CNc2cnc(C(=O)N3CCCCCC3)cn2)c1.
What is the InChIKey of azepan-1-yl-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone?
The InChIKey is DGNUCEVMBBXLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15-7-6-8-16(11-15)12-21-18-14-20-17(13-22-18)19(24)23-9-4-2-3-5-10-23/h6-8,11,13-14H,2-5,9-10,12H2,1H3,(H,21,22).
What are the key properties of azepan-1-yl-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone?
azepan-1-yl-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone has a molecular weight of 324.43 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone is sourced from PubChem (CID 109280403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).