N-(2-methoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide

C13H22N4O2 — CID 107376810

IUPACN-(2-methoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NCC(C)(C)OC)cn1
InChIInChI=1S/C13H22N4O2/c1-5-6-14-11-8-15-10(7-16-11)12(18)17-9-13(2,3)19-4/h7-8H,5-6,9H2,1-4H3,(H,14,16)(H,17,18)
InChIKeyVNRZFBMEMPNYMV-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.45
Rot. Bonds7

About N-(2-methoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide

N-(2-methoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide (PubChem CID 107376810) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(2-methoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide
PubChem CID107376810
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-(2-methoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NCC(C)(C)OC)cn1
InChIInChI=1S/C13H22N4O2/c1-5-6-14-11-8-15-10(7-16-11)12(18)17-9-13(2,3)19-4/h7-8H,5-6,9H2,1-4H3,(H,14,16)(H,17,18)
InChIKeyVNRZFBMEMPNYMV-UHFFFAOYSA-N
XLogP1.45
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107377139
N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109270966
N-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376964
5-(propylamino)-N-(2,3,3-trimethylbutyl)pyrazine-2-carboxamide
CID 107376665
N-(2-cyclohexylethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374667
N-(2-methylbutan-2-yl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374127
5-[(2-methoxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid
CID 104765944
N-[(4-methylcyclohexyl)methyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107375618
N-[2-(4-methoxyphenyl)ethyl]-5-(propylamino)pyrazine-2-carboxamide
CID 109271001
N-(4-methylpentyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107375562
N-cycloheptyl-5-(propylamino)pyrazine-2-carboxamide
CID 109271032
5-[2-(4-methoxyphenoxy)ethylamino]-N-propylpyrazine-2-carboxamide
CID 109270830

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(2-methoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide (CID 107376810) is N-(2-methoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-methoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide is CCCNc1cnc(C(=O)NCC(C)(C)OC)cn1.
What is the InChIKey of N-(2-methoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide?
The InChIKey is VNRZFBMEMPNYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-5-6-14-11-8-15-10(7-16-11)12(18)17-9-13(2,3)19-4/h7-8H,5-6,9H2,1-4H3,(H,14,16)(H,17,18).
What are the key properties of N-(2-methoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide?
N-(2-methoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107376810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).