N-pent-4-ynylpyrazine-2-carboxamide

C10H11N3O — CID 103709111

IUPACN-pent-4-ynylpyrazine-2-carboxamide
SMILESC#CCCCNC(=O)c1cnccn1
InChIInChI=1S/C10H11N3O/c1-2-3-4-5-13-10(14)9-8-11-6-7-12-9/h1,6-8H,3-5H2,(H,13,14)
InChIKeyPLHFBYYTFDXIAJ-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.62
Rot. Bonds4

About N-pent-4-ynylpyrazine-2-carboxamide

N-pent-4-ynylpyrazine-2-carboxamide (PubChem CID 103709111) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is N-pent-4-ynylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-pent-4-ynylpyrazine-2-carboxamide
PubChem CID103709111
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC NameN-pent-4-ynylpyrazine-2-carboxamide
SMILESC#CCCCNC(=O)c1cnccn1
InChIInChI=1S/C10H11N3O/c1-2-3-4-5-13-10(14)9-8-11-6-7-12-9/h1,6-8H,3-5H2,(H,13,14)
InChIKeyPLHFBYYTFDXIAJ-UHFFFAOYSA-N
XLogP0.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
N-(5-hydroxypentyl)pyrazine-2-carboxamide
CID 108796814
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-pent-4-ynylpyridine-3-carboxamide
CID 103709101
N-(3-azidopropyl)pyrazine-2-carboxamide
CID 62199377
N-(4-amino-4-hydroxyiminobutyl)pyrazine-2-carboxamide
CID 76953270
methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate
CID 108574667
5-nitro-N-pent-4-ynylpyridine-2-carboxamide
CID 162753441
N-(3-pyridin-4-ylsulfanylpropyl)pyrazine-2-carboxamide
CID 15231502
5-chloro-N-hex-5-ynylpyridine-2-carboxamide
CID 103757956
tert-butyl N-[2-oxo-2-[3-(pyrazine-2-carbonylamino)propylamino]ethyl]carbamate
CID 108918789
N-pent-4-ynyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113245115

Frequently Asked Questions

What is the IUPAC name of N-pent-4-ynylpyrazine-2-carboxamide?
The IUPAC name of N-pent-4-ynylpyrazine-2-carboxamide (CID 103709111) is N-pent-4-ynylpyrazine-2-carboxamide.
What is the SMILES notation for N-pent-4-ynylpyrazine-2-carboxamide?
The canonical SMILES for N-pent-4-ynylpyrazine-2-carboxamide is C#CCCCNC(=O)c1cnccn1.
What is the InChIKey of N-pent-4-ynylpyrazine-2-carboxamide?
The InChIKey is PLHFBYYTFDXIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-2-3-4-5-13-10(14)9-8-11-6-7-12-9/h1,6-8H,3-5H2,(H,13,14).
What are the key properties of N-pent-4-ynylpyrazine-2-carboxamide?
N-pent-4-ynylpyrazine-2-carboxamide has a molecular weight of 189.22 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-ynylpyrazine-2-carboxamide is sourced from PubChem (CID 103709111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).