N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide

C19H24N4O3 — CID 109224407

IUPACN-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1cncc(N2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C19H24N4O3/c1-2-3-6-21-18(24)15-12-16(14-20-13-15)22-7-9-23(10-8-22)19(25)17-5-4-11-26-17/h4-5,11-14H,2-3,6-10H2,1H3,(H,21,24)
InChIKeyZFTMATSNYFJFQO-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.17
Rot. Bonds6

About N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide

N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 109224407) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID109224407
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1cncc(N2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C19H24N4O3/c1-2-3-6-21-18(24)15-12-16(14-20-13-15)22-7-9-23(10-8-22)19(25)17-5-4-11-26-17/h4-5,11-14H,2-3,6-10H2,1H3,(H,21,24)
InChIKeyZFTMATSNYFJFQO-UHFFFAOYSA-N
XLogP2.17
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.17
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

furan-2-yl-[4-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]piperazin-1-yl]methanone
CID 109230109
N-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide
CID 109079244
[4-[5-(azepan-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109238559
5-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109231191
N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpyrimidine-4-carboxamide
CID 109361802
5-(4-methylpiperazin-1-yl)-N-pentylpyridine-3-carboxamide
CID 109230294
5-(4-benzylpiperazine-1-carbonyl)-N-butylpyridine-3-carboxamide
CID 109101958
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide
CID 109106571
N-butyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111166854
N-butyl-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109101971
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide
CID 109106697
5-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109230257

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide (CID 109224407) is N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide is CCCCNC(=O)c1cncc(N2CCN(C(=O)c3ccco3)CC2)c1.
What is the InChIKey of N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is ZFTMATSNYFJFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-2-3-6-21-18(24)15-12-16(14-20-13-15)22-7-9-23(10-8-22)19(25)17-5-4-11-26-17/h4-5,11-14H,2-3,6-10H2,1H3,(H,21,24).
What are the key properties of N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 109224407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).