2-[(4S)-1-[3-(ethylamino)pyrazin-2-yl]azepan-4-yl]acetamide

C14H23N5O — CID 164633727

IUPAC2-[(4S)-1-[3-(ethylamino)pyrazin-2-yl]azepan-4-yl]acetamide
SMILESCCNc1nccnc1N1CCC[C@H](CC(N)=O)CC1
InChIInChI=1S/C14H23N5O/c1-2-16-13-14(18-7-6-17-13)19-8-3-4-11(5-9-19)10-12(15)20/h6-7,11H,2-5,8-10H2,1H3,(H2,15,20)(H,16,17)/t11-/m0/s1
InChIKeyUCJFAAVYENSWPA-NSHDSACASA-N
MW277.37 g/mol
LogP1.39
Rot. Bonds5

About 2-[(4S)-1-[3-(ethylamino)pyrazin-2-yl]azepan-4-yl]acetamide

2-[(4S)-1-[3-(ethylamino)pyrazin-2-yl]azepan-4-yl]acetamide (PubChem CID 164633727) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[(4S)-1-[3-(ethylamino)pyrazin-2-yl]azepan-4-yl]acetamide.

Molecular Properties

Compound Name2-[(4S)-1-[3-(ethylamino)pyrazin-2-yl]azepan-4-yl]acetamide
PubChem CID164633727
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-[(4S)-1-[3-(ethylamino)pyrazin-2-yl]azepan-4-yl]acetamide
SMILESCCNc1nccnc1N1CCC[C@H](CC(N)=O)CC1
InChIInChI=1S/C14H23N5O/c1-2-16-13-14(18-7-6-17-13)19-8-3-4-11(5-9-19)10-12(15)20/h6-7,11H,2-5,8-10H2,1H3,(H2,15,20)(H,16,17)/t11-/m0/s1
InChIKeyUCJFAAVYENSWPA-NSHDSACASA-N
XLogP1.39
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1-[3-(ethylamino)pyrazin-2-yl]azepan-4-yl]acetamide?
The IUPAC name of 2-[(4S)-1-[3-(ethylamino)pyrazin-2-yl]azepan-4-yl]acetamide (CID 164633727) is 2-[(4S)-1-[3-(ethylamino)pyrazin-2-yl]azepan-4-yl]acetamide.
What is the SMILES notation for 2-[(4S)-1-[3-(ethylamino)pyrazin-2-yl]azepan-4-yl]acetamide?
The canonical SMILES for 2-[(4S)-1-[3-(ethylamino)pyrazin-2-yl]azepan-4-yl]acetamide is CCNc1nccnc1N1CCC[C@H](CC(N)=O)CC1.
What is the InChIKey of 2-[(4S)-1-[3-(ethylamino)pyrazin-2-yl]azepan-4-yl]acetamide?
The InChIKey is UCJFAAVYENSWPA-NSHDSACASA-N. The full InChI is InChI=1S/C14H23N5O/c1-2-16-13-14(18-7-6-17-13)19-8-3-4-11(5-9-19)10-12(15)20/h6-7,11H,2-5,8-10H2,1H3,(H2,15,20)(H,16,17)/t11-/m0/s1.
What are the key properties of 2-[(4S)-1-[3-(ethylamino)pyrazin-2-yl]azepan-4-yl]acetamide?
2-[(4S)-1-[3-(ethylamino)pyrazin-2-yl]azepan-4-yl]acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1-[3-(ethylamino)pyrazin-2-yl]azepan-4-yl]acetamide is sourced from PubChem (CID 164633727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).