N-benzyl-5-(heptylamino)pyrazine-2-carboxamide

C19H26N4O — CID 127038260

IUPACN-benzyl-5-(heptylamino)pyrazine-2-carboxamide
SMILESCCCCCCCNc1cnc(C(=O)NCc2ccccc2)cn1
InChIInChI=1S/C19H26N4O/c1-2-3-4-5-9-12-20-18-15-21-17(14-22-18)19(24)23-13-16-10-7-6-8-11-16/h6-8,10-11,14-15H,2-5,9,12-13H2,1H3,(H,20,22)(H,23,24)
InChIKeyNBMDEPWRMOUVIA-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.79
Rot. Bonds10

About N-benzyl-5-(heptylamino)pyrazine-2-carboxamide

N-benzyl-5-(heptylamino)pyrazine-2-carboxamide (PubChem CID 127038260) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-benzyl-5-(heptylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(heptylamino)pyrazine-2-carboxamide
PubChem CID127038260
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-benzyl-5-(heptylamino)pyrazine-2-carboxamide
SMILESCCCCCCCNc1cnc(C(=O)NCc2ccccc2)cn1
InChIInChI=1S/C19H26N4O/c1-2-3-4-5-9-12-20-18-15-21-17(14-22-18)19(24)23-13-16-10-7-6-8-11-16/h6-8,10-11,14-15H,2-5,9,12-13H2,1H3,(H,20,22)(H,23,24)
InChIKeyNBMDEPWRMOUVIA-UHFFFAOYSA-N
XLogP3.79
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.79
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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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(heptylamino)pyrazine-2-carboxamide?
The IUPAC name of N-benzyl-5-(heptylamino)pyrazine-2-carboxamide (CID 127038260) is N-benzyl-5-(heptylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(heptylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(heptylamino)pyrazine-2-carboxamide is CCCCCCCNc1cnc(C(=O)NCc2ccccc2)cn1.
What is the InChIKey of N-benzyl-5-(heptylamino)pyrazine-2-carboxamide?
The InChIKey is NBMDEPWRMOUVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-2-3-4-5-9-12-20-18-15-21-17(14-22-18)19(24)23-13-16-10-7-6-8-11-16/h6-8,10-11,14-15H,2-5,9,12-13H2,1H3,(H,20,22)(H,23,24).
What are the key properties of N-benzyl-5-(heptylamino)pyrazine-2-carboxamide?
N-benzyl-5-(heptylamino)pyrazine-2-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.79, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(heptylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 127038260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).