N-benzyl-6-(heptylamino)pyrazine-2-carboxamide

C19H26N4O — CID 127038258

IUPACN-benzyl-6-(heptylamino)pyrazine-2-carboxamide
SMILESCCCCCCCNc1cncc(C(=O)NCc2ccccc2)n1
InChIInChI=1S/C19H26N4O/c1-2-3-4-5-9-12-21-18-15-20-14-17(23-18)19(24)22-13-16-10-7-6-8-11-16/h6-8,10-11,14-15H,2-5,9,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyLWAVTHYKYSZRDH-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.79
Rot. Bonds10

About N-benzyl-6-(heptylamino)pyrazine-2-carboxamide

N-benzyl-6-(heptylamino)pyrazine-2-carboxamide (PubChem CID 127038258) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-benzyl-6-(heptylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(heptylamino)pyrazine-2-carboxamide
PubChem CID127038258
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-benzyl-6-(heptylamino)pyrazine-2-carboxamide
SMILESCCCCCCCNc1cncc(C(=O)NCc2ccccc2)n1
InChIInChI=1S/C19H26N4O/c1-2-3-4-5-9-12-21-18-15-20-14-17(23-18)19(24)22-13-16-10-7-6-8-11-16/h6-8,10-11,14-15H,2-5,9,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyLWAVTHYKYSZRDH-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'}

Analyze N-benzyl-6-(heptylamino)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(ethylamino)-N-hexylpyrazine-2-carboxamide
CID 114035955
2-N-benzyl-1-N-pentylbenzene-1,2-dicarboxamide
CID 164886020
6-(octylamino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide
CID 14601820
5-(butylamino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109272569
6-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
CID 114035608
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(propylamino)pyrazine-2-carboxamide
CID 106377129
N-[(4-chlorophenyl)methyl]-2-(pentylamino)pyrimidine-4-carboxamide
CID 109306058
6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158304
5-(pentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194843
N-benzyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide
CID 54843793
N-pentyl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112854090
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(heptylamino)pyrazine-2-carboxamide?
The IUPAC name of N-benzyl-6-(heptylamino)pyrazine-2-carboxamide (CID 127038258) is N-benzyl-6-(heptylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-6-(heptylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-6-(heptylamino)pyrazine-2-carboxamide is CCCCCCCNc1cncc(C(=O)NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-6-(heptylamino)pyrazine-2-carboxamide?
The InChIKey is LWAVTHYKYSZRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-2-3-4-5-9-12-21-18-15-20-14-17(23-18)19(24)22-13-16-10-7-6-8-11-16/h6-8,10-11,14-15H,2-5,9,12-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-benzyl-6-(heptylamino)pyrazine-2-carboxamide?
N-benzyl-6-(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-6-(heptylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 127038258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).