N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide

C23H26N4O3 — CID 3238557

IUPACN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide
SMILESCOc1ccc(N2CCN(C(CNC(=O)c3ccco3)c3cccnc3)CC2)cc1
InChIInChI=1S/C23H26N4O3/c1-29-20-8-6-19(7-9-20)26-11-13-27(14-12-26)21(18-4-2-10-24-16-18)17-25-23(28)22-5-3-15-30-22/h2-10,15-16,21H,11-14,17H2,1H3,(H,25,28)
InChIKeyDAGNHOLWQXGCRY-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.98
Rot. Bonds7

About N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide

N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide (PubChem CID 3238557) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide
PubChem CID3238557
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide
SMILESCOc1ccc(N2CCN(C(CNC(=O)c3ccco3)c3cccnc3)CC2)cc1
InChIInChI=1S/C23H26N4O3/c1-29-20-8-6-19(7-9-20)26-11-13-27(14-12-26)21(18-4-2-10-24-16-18)17-25-23(28)22-5-3-15-30-22/h2-10,15-16,21H,11-14,17H2,1H3,(H,25,28)
InChIKeyDAGNHOLWQXGCRY-UHFFFAOYSA-N
XLogP2.98
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(R)-N-(4-(tert-Butyl)phenyl)-N-(2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl)furan-2-carboxamide
CID 46897844
N-{2-Furan-2-yl-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 2874943
Furan-2-carboxamide deriv., 25
CID 44236908
N-[2-(tert-butylamino)-2-oxo-1-(3-pyridyl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 44634772
SPHINX scaffold, 3
CID 73672854
N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
CID 155289416
N-{6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl}-2-furamide
CID 2814197
N-{6-[4-(tert-butyl)phenoxy]-3-pyridinyl}-2-furamide
CID 2814271
2-(2-Furoyl)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 4917368
N-[(1Z)-1-(furan-2-yl)-3-oxo-3-{[2-(pyridin-2-yl)ethyl]amino}prop-1-en-2-yl]benzamide
CID 5765256
N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 3196508
SPHINX scaffold, 2
CID 73672855

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide (CID 3238557) is N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide is COc1ccc(N2CCN(C(CNC(=O)c3ccco3)c3cccnc3)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide?
The InChIKey is DAGNHOLWQXGCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-29-20-8-6-19(7-9-20)26-11-13-27(14-12-26)21(18-4-2-10-24-16-18)17-25-23(28)22-5-3-15-30-22/h2-10,15-16,21H,11-14,17H2,1H3,(H,25,28).
What are the key properties of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide?
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 3238557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).