N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pyrazine-2-carboxamide

C14H11ClN4O — CID 62909235

IUPACN-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pyrazine-2-carboxamide
SMILESNCC#Cc1ccc(Cl)c(NC(=O)c2cnccn2)c1
InChIInChI=1S/C14H11ClN4O/c15-11-4-3-10(2-1-5-16)8-12(11)19-14(20)13-9-17-6-7-18-13/h3-4,6-9H,5,16H2,(H,19,20)
InChIKeyJLTLKCZCMUHXJM-UHFFFAOYSA-N
MW286.72 g/mol
LogP1.69
Rot. Bonds2

About N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pyrazine-2-carboxamide

N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pyrazine-2-carboxamide (PubChem CID 62909235) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pyrazine-2-carboxamide
PubChem CID62909235
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC NameN-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pyrazine-2-carboxamide
SMILESNCC#Cc1ccc(Cl)c(NC(=O)c2cnccn2)c1
InChIInChI=1S/C14H11ClN4O/c15-11-4-3-10(2-1-5-16)8-12(11)19-14(20)13-9-17-6-7-18-13/h3-4,6-9H,5,16H2,(H,19,20)
InChIKeyJLTLKCZCMUHXJM-UHFFFAOYSA-N
XLogP1.69
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pyrazine-2-carboxamide (CID 62909235) is N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pyrazine-2-carboxamide is NCC#Cc1ccc(Cl)c(NC(=O)c2cnccn2)c1.
What is the InChIKey of N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pyrazine-2-carboxamide?
The InChIKey is JLTLKCZCMUHXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-11-4-3-10(2-1-5-16)8-12(11)19-14(20)13-9-17-6-7-18-13/h3-4,6-9H,5,16H2,(H,19,20).
What are the key properties of N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pyrazine-2-carboxamide?
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pyrazine-2-carboxamide has a molecular weight of 286.72 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 62909235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).