N-[2-(3-aminoprop-1-ynyl)phenyl]-5-methylpyrazine-2-carboxamide

C15H14N4O — CID 62201045

IUPACN-[2-(3-aminoprop-1-ynyl)phenyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccccc2C#CCN)cn1
InChIInChI=1S/C15H14N4O/c1-11-9-18-14(10-17-11)15(20)19-13-7-3-2-5-12(13)6-4-8-16/h2-3,5,7,9-10H,8,16H2,1H3,(H,19,20)
InChIKeyRHESEDZZZXHTTP-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.35
Rot. Bonds2

About N-[2-(3-aminoprop-1-ynyl)phenyl]-5-methylpyrazine-2-carboxamide

N-[2-(3-aminoprop-1-ynyl)phenyl]-5-methylpyrazine-2-carboxamide (PubChem CID 62201045) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[2-(3-aminoprop-1-ynyl)phenyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-aminoprop-1-ynyl)phenyl]-5-methylpyrazine-2-carboxamide
PubChem CID62201045
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-[2-(3-aminoprop-1-ynyl)phenyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccccc2C#CCN)cn1
InChIInChI=1S/C15H14N4O/c1-11-9-18-14(10-17-11)15(20)19-13-7-3-2-5-12(13)6-4-8-16/h2-3,5,7,9-10H,8,16H2,1H3,(H,19,20)
InChIKeyRHESEDZZZXHTTP-UHFFFAOYSA-N
XLogP1.35
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylpyrazine-2-carboxamide
CID 65436071
N-[2-(3-aminoprop-1-ynyl)phenyl]thiadiazole-5-carboxamide
CID 65215727
N-(3-amino-2-methylphenyl)-5-methylpyrazine-2-carboxamide
CID 16788765
N-(2-carbamoylphenyl)-5-methylpyrazine-2-carboxamide
CID 27687729
N-(2,3-dimethylphenyl)-5-methylpyrazine-2-carboxamide
CID 16613943
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
CID 55050505
5-methyl-N-[2-(methylsulfinylmethyl)phenyl]pyrazine-2-carboxamide
CID 75477995
N-[2-(3-aminoprop-1-ynyl)phenyl]-3-chloro-5-methylbenzamide
CID 81315690
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chlorofuran-3-carboxamide
CID 106688746
5-methyl-N-(2-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 52560390
N-[2-(3-methoxyprop-1-ynyl)phenyl]pyridine-2-carboxamide
CID 556133
5-methyl-N-(2-propoxyphenyl)pyrazine-2-carboxamide
CID 17446893

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoprop-1-ynyl)phenyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[2-(3-aminoprop-1-ynyl)phenyl]-5-methylpyrazine-2-carboxamide (CID 62201045) is N-[2-(3-aminoprop-1-ynyl)phenyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(3-aminoprop-1-ynyl)phenyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[2-(3-aminoprop-1-ynyl)phenyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2ccccc2C#CCN)cn1.
What is the InChIKey of N-[2-(3-aminoprop-1-ynyl)phenyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is RHESEDZZZXHTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-11-9-18-14(10-17-11)15(20)19-13-7-3-2-5-12(13)6-4-8-16/h2-3,5,7,9-10H,8,16H2,1H3,(H,19,20).
What are the key properties of N-[2-(3-aminoprop-1-ynyl)phenyl]-5-methylpyrazine-2-carboxamide?
N-[2-(3-aminoprop-1-ynyl)phenyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminoprop-1-ynyl)phenyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 62201045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).