N-(3-aminopropyl)-5-chloropyrazine-2-carboxamide

C8H11ClN4O — CID 107371997

IUPACN-(3-aminopropyl)-5-chloropyrazine-2-carboxamide
SMILESNCCCNC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C8H11ClN4O/c9-7-5-12-6(4-13-7)8(14)11-3-1-2-10/h4-5H,1-3,10H2,(H,11,14)
InChIKeyOPBUWGIQXHURTC-UHFFFAOYSA-N
MW214.66 g/mol
LogP0.21
Rot. Bonds4

About N-(3-aminopropyl)-5-chloropyrazine-2-carboxamide

N-(3-aminopropyl)-5-chloropyrazine-2-carboxamide (PubChem CID 107371997) has the molecular formula C8H11ClN4O and a molecular weight of 214.66 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-chloropyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-chloropyrazine-2-carboxamide
PubChem CID107371997
Molecular FormulaC8H11ClN4O
Molecular Weight214.66 g/mol
Exact Mass214.06
IUPAC NameN-(3-aminopropyl)-5-chloropyrazine-2-carboxamide
SMILESNCCCNC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C8H11ClN4O/c9-7-5-12-6(4-13-7)8(14)11-3-1-2-10/h4-5H,1-3,10H2,(H,11,14)
InChIKeyOPBUWGIQXHURTC-UHFFFAOYSA-N
XLogP0.21
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.66
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(3-hydroxypropyl)pyrazine-2-carboxamide
CID 107245707
5-chloro-N-(4-hydroxybutyl)pyrazine-2-carboxamide
CID 107258552
N-butyl-5-chloropyrazine-2-carboxamide
CID 103803228
N-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide
CID 107372160
N-(2-amino-2-oxoethyl)-5-chloropyrazine-2-carboxamide
CID 107243491
5-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide
CID 107257652
4-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbutanoic acid
CID 107371621
5-chloro-N-[3-oxo-3-(propylamino)propyl]pyrazine-2-carboxamide
CID 113264996
5-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyrazine-2-carboxamide
CID 107252358
N-(3-aminopropyl)-4-chloropyridine-2-carboxamide
CID 61247982
methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate
CID 103817109
5-chloro-N-[2-oxo-2-(propylamino)ethyl]pyrazine-2-carboxamide
CID 103803259

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-chloropyrazine-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)-5-chloropyrazine-2-carboxamide (CID 107371997) is N-(3-aminopropyl)-5-chloropyrazine-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-5-chloropyrazine-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-5-chloropyrazine-2-carboxamide is NCCCNC(=O)c1cnc(Cl)cn1.
What is the InChIKey of N-(3-aminopropyl)-5-chloropyrazine-2-carboxamide?
The InChIKey is OPBUWGIQXHURTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O/c9-7-5-12-6(4-13-7)8(14)11-3-1-2-10/h4-5H,1-3,10H2,(H,11,14).
What are the key properties of N-(3-aminopropyl)-5-chloropyrazine-2-carboxamide?
N-(3-aminopropyl)-5-chloropyrazine-2-carboxamide has a molecular weight of 214.66 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-chloropyrazine-2-carboxamide is sourced from PubChem (CID 107371997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).