2-[ethyl-[[5-(ethylamino)pyrazin-2-yl]methyl]amino]-N-propan-2-ylacetamide

C14H25N5O — CID 103056029

IUPAC2-[ethyl-[[5-(ethylamino)pyrazin-2-yl]methyl]amino]-N-propan-2-ylacetamide
SMILESCCNc1cnc(CN(CC)CC(=O)NC(C)C)cn1
InChIInChI=1S/C14H25N5O/c1-5-15-13-8-16-12(7-17-13)9-19(6-2)10-14(20)18-11(3)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,15,17)(H,18,20)
InChIKeyNWIJCQFEHLFMSG-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.25
Rot. Bonds8

About 2-[ethyl-[[5-(ethylamino)pyrazin-2-yl]methyl]amino]-N-propan-2-ylacetamide

2-[ethyl-[[5-(ethylamino)pyrazin-2-yl]methyl]amino]-N-propan-2-ylacetamide (PubChem CID 103056029) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[ethyl-[[5-(ethylamino)pyrazin-2-yl]methyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[ethyl-[[5-(ethylamino)pyrazin-2-yl]methyl]amino]-N-propan-2-ylacetamide
PubChem CID103056029
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-[ethyl-[[5-(ethylamino)pyrazin-2-yl]methyl]amino]-N-propan-2-ylacetamide
SMILESCCNc1cnc(CN(CC)CC(=O)NC(C)C)cn1
InChIInChI=1S/C14H25N5O/c1-5-15-13-8-16-12(7-17-13)9-19(6-2)10-14(20)18-11(3)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,15,17)(H,18,20)
InChIKeyNWIJCQFEHLFMSG-UHFFFAOYSA-N
XLogP1.25
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[[5-(ethylamino)pyrazin-2-yl]methyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[ethyl-[[5-(ethylamino)pyrazin-2-yl]methyl]amino]-N-propan-2-ylacetamide (CID 103056029) is 2-[ethyl-[[5-(ethylamino)pyrazin-2-yl]methyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[ethyl-[[5-(ethylamino)pyrazin-2-yl]methyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[ethyl-[[5-(ethylamino)pyrazin-2-yl]methyl]amino]-N-propan-2-ylacetamide is CCNc1cnc(CN(CC)CC(=O)NC(C)C)cn1.
What is the InChIKey of 2-[ethyl-[[5-(ethylamino)pyrazin-2-yl]methyl]amino]-N-propan-2-ylacetamide?
The InChIKey is NWIJCQFEHLFMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-5-15-13-8-16-12(7-17-13)9-19(6-2)10-14(20)18-11(3)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,15,17)(H,18,20).
What are the key properties of 2-[ethyl-[[5-(ethylamino)pyrazin-2-yl]methyl]amino]-N-propan-2-ylacetamide?
2-[ethyl-[[5-(ethylamino)pyrazin-2-yl]methyl]amino]-N-propan-2-ylacetamide has a molecular weight of 279.39 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[[5-(ethylamino)pyrazin-2-yl]methyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 103056029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).