N-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide

C11H13N3O — CID 129060124

IUPACN-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide
SMILESCC#CCC(=O)NCc1cnc(C)cn1
InChIInChI=1S/C11H13N3O/c1-3-4-5-11(15)14-8-10-7-12-9(2)6-13-10/h6-7H,5,8H2,1-2H3,(H,14,15)
InChIKeySSGIYJWTHHAZJS-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.81
Rot. Bonds3

About N-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide

N-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide (PubChem CID 129060124) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide
PubChem CID129060124
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide
SMILESCC#CCC(=O)NCc1cnc(C)cn1
InChIInChI=1S/C11H13N3O/c1-3-4-5-11(15)14-8-10-7-12-9(2)6-13-10/h6-7H,5,8H2,1-2H3,(H,14,15)
InChIKeySSGIYJWTHHAZJS-UHFFFAOYSA-N
XLogP0.81
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 64590585
(5-methylpyrazin-2-yl)methylurea
CID 62845946
2-amino-N-[2-[(5-methylpyrazin-2-yl)methylamino]-2-oxoethyl]acetamide
CID 62847599
2-[(2-methylpropan-2-yl)oxy]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 112605146
ethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate
CID 64592018
2-[1-(aminomethyl)cyclobutyl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 81168792
3-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]pentanamide
CID 81080396
2-(4-cyanophenoxy)-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 62847779
2-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]propanamide
CID 55209197
2-(5-amino-2-oxo-1-pyridinyl)-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 62848412
N-[(5-methylpyrazin-2-yl)methyl]-2-naphthalen-2-ylacetamide
CID 171090606
2-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]butanamide
CID 113270337

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide (CID 129060124) is N-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide is CC#CCC(=O)NCc1cnc(C)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide?
The InChIKey is SSGIYJWTHHAZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-3-4-5-11(15)14-8-10-7-12-9(2)6-13-10/h6-7H,5,8H2,1-2H3,(H,14,15).
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide?
N-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide has a molecular weight of 203.24 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide is sourced from PubChem (CID 129060124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).