N-[4-(pyrazine-2-carbonylamino)butyl]pyrazine-2-carboxamide

C14H16N6O2 — CID 2165338

IUPACN-[4-(pyrazine-2-carbonylamino)butyl]pyrazine-2-carboxamide
SMILESO=C(NCCCCNC(=O)c1cnccn1)c1cnccn1
InChIInChI=1S/C14H16N6O2/c21-13(11-9-15-5-7-17-11)19-3-1-2-4-20-14(22)12-10-16-6-8-18-12/h5-10H,1-4H2,(H,19,21)(H,20,22)
InChIKeyJBPXSHXMKUFAQD-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.21
Rot. Bonds7

About N-[4-(pyrazine-2-carbonylamino)butyl]pyrazine-2-carboxamide

N-[4-(pyrazine-2-carbonylamino)butyl]pyrazine-2-carboxamide (PubChem CID 2165338) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[4-(pyrazine-2-carbonylamino)butyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(pyrazine-2-carbonylamino)butyl]pyrazine-2-carboxamide
PubChem CID2165338
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC NameN-[4-(pyrazine-2-carbonylamino)butyl]pyrazine-2-carboxamide
SMILESO=C(NCCCCNC(=O)c1cnccn1)c1cnccn1
InChIInChI=1S/C14H16N6O2/c21-13(11-9-15-5-7-17-11)19-3-1-2-4-20-14(22)12-10-16-6-8-18-12/h5-10H,1-4H2,(H,19,21)(H,20,22)
InChIKeyJBPXSHXMKUFAQD-UHFFFAOYSA-N
XLogP0.21
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[4-(pyrazine-2-carbonylamino)butyl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-(pyrazine-2-carbonylamino)butyl]pyrazine-2-carboxamide (CID 2165338) is N-[4-(pyrazine-2-carbonylamino)butyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(pyrazine-2-carbonylamino)butyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(pyrazine-2-carbonylamino)butyl]pyrazine-2-carboxamide is O=C(NCCCCNC(=O)c1cnccn1)c1cnccn1.
What is the InChIKey of N-[4-(pyrazine-2-carbonylamino)butyl]pyrazine-2-carboxamide?
The InChIKey is JBPXSHXMKUFAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c21-13(11-9-15-5-7-17-11)19-3-1-2-4-20-14(22)12-10-16-6-8-18-12/h5-10H,1-4H2,(H,19,21)(H,20,22).
What are the key properties of N-[4-(pyrazine-2-carbonylamino)butyl]pyrazine-2-carboxamide?
N-[4-(pyrazine-2-carbonylamino)butyl]pyrazine-2-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrazine-2-carbonylamino)butyl]pyrazine-2-carboxamide is sourced from PubChem (CID 2165338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).