N-[(1-butylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyrazine-3-carboxamide

C14H22N4O2 — CID 56712083

IUPACN-[(1-butylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESCCCCN1CCC(CNC(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C14H22N4O2/c1-2-3-5-18-6-4-11(10-18)7-17-14(20)12-8-16-13(19)9-15-12/h8-9,11H,2-7,10H2,1H3,(H,16,19)(H,17,20)
InChIKeyXPLOMCXTXMWHOO-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.62
Rot. Bonds6

About N-[(1-butylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyrazine-3-carboxamide

N-[(1-butylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 56712083) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(1-butylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-butylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID56712083
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[(1-butylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESCCCCN1CCC(CNC(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C14H22N4O2/c1-2-3-5-18-6-4-11(10-18)7-17-14(20)12-8-16-13(19)9-15-12/h8-9,11H,2-7,10H2,1H3,(H,16,19)(H,17,20)
InChIKeyXPLOMCXTXMWHOO-UHFFFAOYSA-N
XLogP0.62
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-butylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-[(1-butylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyrazine-3-carboxamide (CID 56712083) is N-[(1-butylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-[(1-butylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-[(1-butylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyrazine-3-carboxamide is CCCCN1CCC(CNC(=O)c2c[nH]c(=O)cn2)C1.
What is the InChIKey of N-[(1-butylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is XPLOMCXTXMWHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-3-5-18-6-4-11(10-18)7-17-14(20)12-8-16-13(19)9-15-12/h8-9,11H,2-7,10H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-[(1-butylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyrazine-3-carboxamide?
N-[(1-butylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 56712083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).