N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyrazine-2-carboxamide

C19H25N5O3 — CID 109286550

IUPACN-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyrazine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(N2CCN(C(=O)c3ccco3)CC2)cn1
InChIInChI=1S/C19H25N5O3/c1-3-4-7-22(2)18(25)15-13-21-17(14-20-15)23-8-10-24(11-9-23)19(26)16-6-5-12-27-16/h5-6,12-14H,3-4,7-11H2,1-2H3
InChIKeyWVMXHTNLRURJSJ-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.90
Rot. Bonds6

About N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyrazine-2-carboxamide

N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyrazine-2-carboxamide (PubChem CID 109286550) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyrazine-2-carboxamide
PubChem CID109286550
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC NameN-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyrazine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(N2CCN(C(=O)c3ccco3)CC2)cn1
InChIInChI=1S/C19H25N5O3/c1-3-4-7-22(2)18(25)15-13-21-17(14-20-15)23-8-10-24(11-9-23)19(26)16-6-5-12-27-16/h5-6,12-14H,3-4,7-11H2,1-2H3
InChIKeyWVMXHTNLRURJSJ-UHFFFAOYSA-N
XLogP1.90
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide
CID 109124073
N-butyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 109216191
N-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-methylbenzamide
CID 109048336
N-butyl-N-methyl-5-morpholin-4-ylpyrazine-2-carboxamide
CID 109276632
5-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylpyrazine-2-carboxamide
CID 109286555
N-butyl-N-methylfuran-2-carboxamide
CID 60670878
N-[2-(dimethylamino)ethyl]-5-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109185331
[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112855130
N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpyrimidine-4-carboxamide
CID 109361802
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanesulfonamide
CID 113014461
[4-[2-(diethylamino)pyrimidine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109262135
5-(4-acetylpiperazin-1-yl)-N,N-dipropylpyrazine-2-carboxamide
CID 109279210

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyrazine-2-carboxamide?
The IUPAC name of N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyrazine-2-carboxamide (CID 109286550) is N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyrazine-2-carboxamide is CCCCN(C)C(=O)c1cnc(N2CCN(C(=O)c3ccco3)CC2)cn1.
What is the InChIKey of N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyrazine-2-carboxamide?
The InChIKey is WVMXHTNLRURJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-3-4-7-22(2)18(25)15-13-21-17(14-20-15)23-8-10-24(11-9-23)19(26)16-6-5-12-27-16/h5-6,12-14H,3-4,7-11H2,1-2H3.
What are the key properties of N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyrazine-2-carboxamide?
N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyrazine-2-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 109286550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).