N-[5-amino-5-oxo-4-(2-oxo-4-propylpyrrolidin-1-yl)pentyl]pyrazine-2-carboxamide

C17H25N5O3 — CID 22387135

IUPACN-[5-amino-5-oxo-4-(2-oxo-4-propylpyrrolidin-1-yl)pentyl]pyrazine-2-carboxamide
SMILESCCCC1CC(=O)N(C(CCCNC(=O)c2cnccn2)C(N)=O)C1
InChIInChI=1S/C17H25N5O3/c1-2-4-12-9-15(23)22(11-12)14(16(18)24)5-3-6-21-17(25)13-10-19-7-8-20-13/h7-8,10,12,14H,2-6,9,11H2,1H3,(H2,18,24)(H,21,25)
InChIKeyRSQPNROPXCTUAW-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.49
Rot. Bonds9

About N-[5-amino-5-oxo-4-(2-oxo-4-propylpyrrolidin-1-yl)pentyl]pyrazine-2-carboxamide

N-[5-amino-5-oxo-4-(2-oxo-4-propylpyrrolidin-1-yl)pentyl]pyrazine-2-carboxamide (PubChem CID 22387135) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[5-amino-5-oxo-4-(2-oxo-4-propylpyrrolidin-1-yl)pentyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-amino-5-oxo-4-(2-oxo-4-propylpyrrolidin-1-yl)pentyl]pyrazine-2-carboxamide
PubChem CID22387135
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC NameN-[5-amino-5-oxo-4-(2-oxo-4-propylpyrrolidin-1-yl)pentyl]pyrazine-2-carboxamide
SMILESCCCC1CC(=O)N(C(CCCNC(=O)c2cnccn2)C(N)=O)C1
InChIInChI=1S/C17H25N5O3/c1-2-4-12-9-15(23)22(11-12)14(16(18)24)5-3-6-21-17(25)13-10-19-7-8-20-13/h7-8,10,12,14H,2-6,9,11H2,1H3,(H2,18,24)(H,21,25)
InChIKeyRSQPNROPXCTUAW-UHFFFAOYSA-N
XLogP0.49
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[5-amino-5-oxo-4-(2-oxo-4-propylpyrrolidin-1-yl)pentyl]pyrazine-2-carboxamide?
The IUPAC name of N-[5-amino-5-oxo-4-(2-oxo-4-propylpyrrolidin-1-yl)pentyl]pyrazine-2-carboxamide (CID 22387135) is N-[5-amino-5-oxo-4-(2-oxo-4-propylpyrrolidin-1-yl)pentyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[5-amino-5-oxo-4-(2-oxo-4-propylpyrrolidin-1-yl)pentyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[5-amino-5-oxo-4-(2-oxo-4-propylpyrrolidin-1-yl)pentyl]pyrazine-2-carboxamide is CCCC1CC(=O)N(C(CCCNC(=O)c2cnccn2)C(N)=O)C1.
What is the InChIKey of N-[5-amino-5-oxo-4-(2-oxo-4-propylpyrrolidin-1-yl)pentyl]pyrazine-2-carboxamide?
The InChIKey is RSQPNROPXCTUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-2-4-12-9-15(23)22(11-12)14(16(18)24)5-3-6-21-17(25)13-10-19-7-8-20-13/h7-8,10,12,14H,2-6,9,11H2,1H3,(H2,18,24)(H,21,25).
What are the key properties of N-[5-amino-5-oxo-4-(2-oxo-4-propylpyrrolidin-1-yl)pentyl]pyrazine-2-carboxamide?
N-[5-amino-5-oxo-4-(2-oxo-4-propylpyrrolidin-1-yl)pentyl]pyrazine-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 0.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-5-oxo-4-(2-oxo-4-propylpyrrolidin-1-yl)pentyl]pyrazine-2-carboxamide is sourced from PubChem (CID 22387135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).