N-[6-[4-(4-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide

C20H26N4O3 — CID 46084240

IUPACN-[6-[4-(4-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide
SMILESCC(C)CCC(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cn2)CC1
InChIInChI=1S/C20H26N4O3/c1-15(2)5-8-19(25)24-11-9-23(10-12-24)18-7-6-16(14-21-18)22-20(26)17-4-3-13-27-17/h3-4,6-7,13-15H,5,8-12H2,1-2H3,(H,22,26)
InChIKeyCCSYWJATPZLHLX-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.01
Rot. Bonds6

About N-[6-[4-(4-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide

N-[6-[4-(4-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide (PubChem CID 46084240) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[6-[4-(4-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-[4-(4-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide
PubChem CID46084240
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[6-[4-(4-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide
SMILESCC(C)CCC(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cn2)CC1
InChIInChI=1S/C20H26N4O3/c1-15(2)5-8-19(25)24-11-9-23(10-12-24)18-7-6-16(14-21-18)22-20(26)17-4-3-13-27-17/h3-4,6-7,13-15H,5,8-12H2,1-2H3,(H,22,26)
InChIKeyCCSYWJATPZLHLX-UHFFFAOYSA-N
XLogP3.01
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-pentanoylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 42849956
N-[6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 42857295
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide
CID 46157166
N-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 113014476
N-[6-[4-(2-hydroxy-3-methylbutyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide
CID 46054113
N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide
CID 42850252
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041971
N-[6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide
CID 46053082
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenylacetamide
CID 46157200
N-[6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]furan-2-carboxamide
CID 42856931
N-[2-oxo-2-[(6-piperidin-1-yl-3-pyridinyl)amino]ethyl]furan-2-carboxamide
CID 18144018
4-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pentan-1-one
CID 78772282

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(4-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[6-[4-(4-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide (CID 46084240) is N-[6-[4-(4-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[6-[4-(4-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[6-[4-(4-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide is CC(C)CCC(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cn2)CC1.
What is the InChIKey of N-[6-[4-(4-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide?
The InChIKey is CCSYWJATPZLHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-15(2)5-8-19(25)24-11-9-23(10-12-24)18-7-6-16(14-21-18)22-20(26)17-4-3-13-27-17/h3-4,6-7,13-15H,5,8-12H2,1-2H3,(H,22,26).
What are the key properties of N-[6-[4-(4-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide?
N-[6-[4-(4-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(4-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 46084240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).