azepan-1-yl-[5-(4-propan-2-ylanilino)pyrazin-2-yl]methanone

C20H26N4O — CID 109289223

IUPACazepan-1-yl-[5-(4-propan-2-ylanilino)pyrazin-2-yl]methanone
SMILESCC(C)c1ccc(Nc2cnc(C(=O)N3CCCCCC3)cn2)cc1
InChIInChI=1S/C20H26N4O/c1-15(2)16-7-9-17(10-8-16)23-19-14-21-18(13-22-19)20(25)24-11-5-3-4-6-12-24/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,22,23)
InChIKeyUNPRUSGZGKBCAX-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.36
Rot. Bonds4

About azepan-1-yl-[5-(4-propan-2-ylanilino)pyrazin-2-yl]methanone

azepan-1-yl-[5-(4-propan-2-ylanilino)pyrazin-2-yl]methanone (PubChem CID 109289223) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is azepan-1-yl-[5-(4-propan-2-ylanilino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[5-(4-propan-2-ylanilino)pyrazin-2-yl]methanone
PubChem CID109289223
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Nameazepan-1-yl-[5-(4-propan-2-ylanilino)pyrazin-2-yl]methanone
SMILESCC(C)c1ccc(Nc2cnc(C(=O)N3CCCCCC3)cn2)cc1
InChIInChI=1S/C20H26N4O/c1-15(2)16-7-9-17(10-8-16)23-19-14-21-18(13-22-19)20(25)24-11-5-3-4-6-12-24/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,22,23)
InChIKeyUNPRUSGZGKBCAX-UHFFFAOYSA-N
XLogP4.36
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

pyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone
CID 109273648
4-[[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]benzonitrile
CID 109273685
azepan-1-yl-[5-(3-chloro-4-methoxyanilino)pyrazin-2-yl]methanone
CID 109289240
1-[4-[5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279139
[5-(2-methyl-6-propan-2-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274363
azocan-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374083
N-(2-methylpropyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109272832
[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273663
5-(4-propan-2-ylanilino)-N,N-dipropylpyrazine-2-carboxamide
CID 109288923
N-[4-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]acetamide
CID 109276515
[5-(4-chloro-2-methylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274372
[5-(3-methylbutylamino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274331

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[5-(4-propan-2-ylanilino)pyrazin-2-yl]methanone?
The IUPAC name of azepan-1-yl-[5-(4-propan-2-ylanilino)pyrazin-2-yl]methanone (CID 109289223) is azepan-1-yl-[5-(4-propan-2-ylanilino)pyrazin-2-yl]methanone.
What is the SMILES notation for azepan-1-yl-[5-(4-propan-2-ylanilino)pyrazin-2-yl]methanone?
The canonical SMILES for azepan-1-yl-[5-(4-propan-2-ylanilino)pyrazin-2-yl]methanone is CC(C)c1ccc(Nc2cnc(C(=O)N3CCCCCC3)cn2)cc1.
What is the InChIKey of azepan-1-yl-[5-(4-propan-2-ylanilino)pyrazin-2-yl]methanone?
The InChIKey is UNPRUSGZGKBCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15(2)16-7-9-17(10-8-16)23-19-14-21-18(13-22-19)20(25)24-11-5-3-4-6-12-24/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,22,23).
What are the key properties of azepan-1-yl-[5-(4-propan-2-ylanilino)pyrazin-2-yl]methanone?
azepan-1-yl-[5-(4-propan-2-ylanilino)pyrazin-2-yl]methanone has a molecular weight of 338.46 g/mol, XLogP of 4.36, 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-(4-propan-2-ylanilino)pyrazin-2-yl]methanone is sourced from PubChem (CID 109289223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).