N-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide

C20H24N4O4 — CID 109079244

IUPACN-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide
SMILESCCCCNC(=O)c1ccnc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C20H24N4O4/c1-2-3-7-22-18(25)15-6-8-21-16(14-15)19(26)23-9-11-24(12-10-23)20(27)17-5-4-13-28-17/h4-6,8,13-14H,2-3,7,9-12H2,1H3,(H,22,25)
InChIKeyCDLTYTXJPQDCDM-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.80
Rot. Bonds6

About N-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide

N-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide (PubChem CID 109079244) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide
PubChem CID109079244
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC NameN-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide
SMILESCCCCNC(=O)c1ccnc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C20H24N4O4/c1-2-3-7-22-18(25)15-6-8-21-16(14-15)19(26)23-9-11-24(12-10-23)20(27)17-5-4-13-28-17/h4-6,8,13-14H,2-3,7,9-12H2,1H3,(H,22,25)
InChIKeyCDLTYTXJPQDCDM-UHFFFAOYSA-N
XLogP1.80
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide
CID 109088728
N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109224407
N-butyl-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyridine-4-carboxamide
CID 109079242
2-(4-benzylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide
CID 109077665
2-(4-ethylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide
CID 109077634
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(morpholine-4-carbonyl)-4-pyridinyl]methanone
CID 109083000
N-(3-phenylpropyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080564
N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpyrimidine-4-carboxamide
CID 109361802
2-(azepane-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109089026
N-butyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111166854
ethyl 4-[2-(butylcarbamoyl)pyridine-4-carbonyl]piperazine-1-carboxylate
CID 109079428
N-(3-methoxypropyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081193

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide?
The IUPAC name of N-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide (CID 109079244) is N-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide.
What is the SMILES notation for N-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide?
The canonical SMILES for N-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide is CCCCNC(=O)c1ccnc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1.
What is the InChIKey of N-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide?
The InChIKey is CDLTYTXJPQDCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-2-3-7-22-18(25)15-6-8-21-16(14-15)19(26)23-9-11-24(12-10-23)20(27)17-5-4-13-28-17/h4-6,8,13-14H,2-3,7,9-12H2,1H3,(H,22,25).
What are the key properties of N-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide?
N-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide is sourced from PubChem (CID 109079244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).