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

C20H24N4O4 — CID 109088728

IUPACN-tert-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide
SMILESCC(C)(C)NC(=O)c1ccnc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C20H24N4O4/c1-20(2,3)22-17(25)14-6-7-21-15(13-14)18(26)23-8-10-24(11-9-23)19(27)16-5-4-12-28-16/h4-7,12-13H,8-11H2,1-3H3,(H,22,25)
InChIKeyITSCRIWSTXVMRG-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.80
Rot. Bonds3

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

N-tert-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide (PubChem CID 109088728) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide
PubChem CID109088728
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC NameN-tert-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide
SMILESCC(C)(C)NC(=O)c1ccnc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C20H24N4O4/c1-20(2,3)22-17(25)14-6-7-21-15(13-14)18(26)23-8-10-24(11-9-23)19(27)16-5-4-12-28-16/h4-7,12-13H,8-11H2,1-3H3,(H,22,25)
InChIKeyITSCRIWSTXVMRG-UHFFFAOYSA-N
XLogP1.80
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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

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Related Compounds

N-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide
CID 109079244
N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084555
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(morpholine-4-carbonyl)-4-pyridinyl]methanone
CID 109083000
ethyl 4-[4-(tert-butylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109088681
N-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide
CID 109088600
N-tert-butyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080380
furan-2-yl-[4-[4-(2-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]methanone
CID 109216178
furan-2-yl-[4-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]piperazin-1-yl]methanone
CID 109203676
N-tert-butyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 26495641
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 110807707
[4-[2-(tert-butylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109332113
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(2-methylpropylamino)pyrimidin-4-yl]methanone
CID 109296759

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide?
The IUPAC name of N-tert-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide (CID 109088728) is N-tert-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide is CC(C)(C)NC(=O)c1ccnc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1.
What is the InChIKey of N-tert-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide?
The InChIKey is ITSCRIWSTXVMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-20(2,3)22-17(25)14-6-7-21-15(13-14)18(26)23-8-10-24(11-9-23)19(27)16-5-4-12-28-16/h4-7,12-13H,8-11H2,1-3H3,(H,22,25).
What are the key properties of N-tert-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide?
N-tert-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, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide is sourced from PubChem (CID 109088728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).