2-[(5-chloropyrazin-2-yl)methyl-ethylamino]-N-propan-2-ylacetamide

C12H19ClN4O — CID 103054171

IUPAC2-[(5-chloropyrazin-2-yl)methyl-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1cnc(Cl)cn1
InChIInChI=1S/C12H19ClN4O/c1-4-17(8-12(18)16-9(2)3)7-10-5-15-11(13)6-14-10/h5-6,9H,4,7-8H2,1-3H3,(H,16,18)
InChIKeySMQIFBFZYKNGHV-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.48
Rot. Bonds6

About 2-[(5-chloropyrazin-2-yl)methyl-ethylamino]-N-propan-2-ylacetamide

2-[(5-chloropyrazin-2-yl)methyl-ethylamino]-N-propan-2-ylacetamide (PubChem CID 103054171) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[(5-chloropyrazin-2-yl)methyl-ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-chloropyrazin-2-yl)methyl-ethylamino]-N-propan-2-ylacetamide
PubChem CID103054171
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name2-[(5-chloropyrazin-2-yl)methyl-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1cnc(Cl)cn1
InChIInChI=1S/C12H19ClN4O/c1-4-17(8-12(18)16-9(2)3)7-10-5-15-11(13)6-14-10/h5-6,9H,4,7-8H2,1-3H3,(H,16,18)
InChIKeySMQIFBFZYKNGHV-UHFFFAOYSA-N
XLogP1.48
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[[5-(ethylamino)pyrazin-2-yl]methyl]amino]-N-propan-2-ylacetamide
CID 103056029
2-[ethyl-[[5-(propylamino)pyrazin-2-yl]methyl]amino]-N-propan-2-ylacetamide
CID 103056028
2-[(4-chloro-2-pyridinyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 79255705
methyl 3-[(5-chloropyrazin-2-yl)methyl-ethylamino]propanoate
CID 103055309
2-[(5-chloropyrazin-2-yl)methyl-ethylamino]ethanol
CID 103054105
2-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-ethylamino]-N-propan-2-ylacetamide
CID 62890643
2-[ethyl-[(6-hydrazinyl-2-pyridinyl)methyl]amino]-N-propan-2-ylacetamide
CID 79242850
2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 103182194
2-[ethyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide
CID 55411702
2-[ethyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide
CID 78791314
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1,3-thiazol-2-yl)acetamide
CID 47123380
N-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylbutan-1-amine
CID 103054133

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloropyrazin-2-yl)methyl-ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(5-chloropyrazin-2-yl)methyl-ethylamino]-N-propan-2-ylacetamide (CID 103054171) is 2-[(5-chloropyrazin-2-yl)methyl-ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(5-chloropyrazin-2-yl)methyl-ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(5-chloropyrazin-2-yl)methyl-ethylamino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)Cc1cnc(Cl)cn1.
What is the InChIKey of 2-[(5-chloropyrazin-2-yl)methyl-ethylamino]-N-propan-2-ylacetamide?
The InChIKey is SMQIFBFZYKNGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-4-17(8-12(18)16-9(2)3)7-10-5-15-11(13)6-14-10/h5-6,9H,4,7-8H2,1-3H3,(H,16,18).
What are the key properties of 2-[(5-chloropyrazin-2-yl)methyl-ethylamino]-N-propan-2-ylacetamide?
2-[(5-chloropyrazin-2-yl)methyl-ethylamino]-N-propan-2-ylacetamide has a molecular weight of 270.76 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloropyrazin-2-yl)methyl-ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 103054171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).