N-(1,4-dioxan-2-ylmethyl)-5-(ethylamino)pyrazine-2-carboxamide

C12H18N4O3 — CID 107374710

IUPACN-(1,4-dioxan-2-ylmethyl)-5-(ethylamino)pyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)NCC2COCCO2)cn1
InChIInChI=1S/C12H18N4O3/c1-2-13-11-7-14-10(6-15-11)12(17)16-5-9-8-18-3-4-19-9/h6-7,9H,2-5,8H2,1H3,(H,13,15)(H,16,17)
InChIKeyXJQSDFSZUQFYRH-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.05
Rot. Bonds5

About N-(1,4-dioxan-2-ylmethyl)-5-(ethylamino)pyrazine-2-carboxamide

N-(1,4-dioxan-2-ylmethyl)-5-(ethylamino)pyrazine-2-carboxamide (PubChem CID 107374710) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-5-(ethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-5-(ethylamino)pyrazine-2-carboxamide
PubChem CID107374710
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-5-(ethylamino)pyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)NCC2COCCO2)cn1
InChIInChI=1S/C12H18N4O3/c1-2-13-11-7-14-10(6-15-11)12(17)16-5-9-8-18-3-4-19-9/h6-7,9H,2-5,8H2,1H3,(H,13,15)(H,16,17)
InChIKeyXJQSDFSZUQFYRH-UHFFFAOYSA-N
XLogP0.05
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62181314
N-[[(2R)-1,4-dioxan-2-yl]methyl]-2H-triazole-4-carboxamide
CID 97054054
N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62179195
N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)pyridine-2-carboxamide
CID 62180963
5-(butan-2-ylamino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 109273316
3-[6-(1,4-dioxan-2-ylmethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 76978753
N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-methoxypyrimidine-2-carboxamide
CID 164640711
5-(ethylamino)-N-methyl-N-(oxan-2-ylmethyl)pyrazine-2-carboxamide
CID 107374782
5-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazine-2-carboxamide
CID 106377240
N-(3-cyclopropylpropyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107377006
N-ethyl-5-(ethylamino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 107374808
5-amino-N-(1,4-dioxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62160317

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-5-(ethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-5-(ethylamino)pyrazine-2-carboxamide (CID 107374710) is N-(1,4-dioxan-2-ylmethyl)-5-(ethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-5-(ethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-5-(ethylamino)pyrazine-2-carboxamide is CCNc1cnc(C(=O)NCC2COCCO2)cn1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-5-(ethylamino)pyrazine-2-carboxamide?
The InChIKey is XJQSDFSZUQFYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-2-13-11-7-14-10(6-15-11)12(17)16-5-9-8-18-3-4-19-9/h6-7,9H,2-5,8H2,1H3,(H,13,15)(H,16,17).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-5-(ethylamino)pyrazine-2-carboxamide?
N-(1,4-dioxan-2-ylmethyl)-5-(ethylamino)pyrazine-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-5-(ethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107374710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).