3-[(4-chlorophenyl)methylamino]-5-cyanopyrazine-2-carboxamide

C13H10ClN5O — CID 71540504

IUPAC3-[(4-chlorophenyl)methylamino]-5-cyanopyrazine-2-carboxamide
SMILESN#Cc1cnc(C(N)=O)c(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H10ClN5O/c14-9-3-1-8(2-4-9)6-18-13-11(12(16)20)17-7-10(5-15)19-13/h1-4,7H,6H2,(H2,16,20)(H,18,19)
InChIKeyBGOLBDSWAFTSPX-UHFFFAOYSA-N
MW287.71 g/mol
LogP1.71
Rot. Bonds4

About 3-[(4-chlorophenyl)methylamino]-5-cyanopyrazine-2-carboxamide

3-[(4-chlorophenyl)methylamino]-5-cyanopyrazine-2-carboxamide (PubChem CID 71540504) has the molecular formula C13H10ClN5O and a molecular weight of 287.71 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylamino]-5-cyanopyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylamino]-5-cyanopyrazine-2-carboxamide
PubChem CID71540504
Molecular FormulaC13H10ClN5O
Molecular Weight287.71 g/mol
Exact Mass287.06
IUPAC Name3-[(4-chlorophenyl)methylamino]-5-cyanopyrazine-2-carboxamide
SMILESN#Cc1cnc(C(N)=O)c(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H10ClN5O/c14-9-3-1-8(2-4-9)6-18-13-11(12(16)20)17-7-10(5-15)19-13/h1-4,7H,6H2,(H2,16,20)(H,18,19)
InChIKeyBGOLBDSWAFTSPX-UHFFFAOYSA-N
XLogP1.71
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylamino]-5-cyanopyrazine-2-carboxamide?
The IUPAC name of 3-[(4-chlorophenyl)methylamino]-5-cyanopyrazine-2-carboxamide (CID 71540504) is 3-[(4-chlorophenyl)methylamino]-5-cyanopyrazine-2-carboxamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methylamino]-5-cyanopyrazine-2-carboxamide?
The canonical SMILES for 3-[(4-chlorophenyl)methylamino]-5-cyanopyrazine-2-carboxamide is N#Cc1cnc(C(N)=O)c(NCc2ccc(Cl)cc2)n1.
What is the InChIKey of 3-[(4-chlorophenyl)methylamino]-5-cyanopyrazine-2-carboxamide?
The InChIKey is BGOLBDSWAFTSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O/c14-9-3-1-8(2-4-9)6-18-13-11(12(16)20)17-7-10(5-15)19-13/h1-4,7H,6H2,(H2,16,20)(H,18,19).
What are the key properties of 3-[(4-chlorophenyl)methylamino]-5-cyanopyrazine-2-carboxamide?
3-[(4-chlorophenyl)methylamino]-5-cyanopyrazine-2-carboxamide has a molecular weight of 287.71 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylamino]-5-cyanopyrazine-2-carboxamide is sourced from PubChem (CID 71540504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).