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

C22H24N4O2 — CID 3239948

IUPACN-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide
SMILESO=C(NCC(c1cccnc1)N1CCN(c2ccccc2)CC1)c1ccco1
InChIInChI=1S/C22H24N4O2/c27-22(21-9-5-15-28-21)24-17-20(18-6-4-10-23-16-18)26-13-11-25(12-14-26)19-7-2-1-3-8-19/h1-10,15-16,20H,11-14,17H2,(H,24,27)
InChIKeyLPGMAQVEXRNQJC-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.97
Rot. Bonds6

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

N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide (PubChem CID 3239948) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide
PubChem CID3239948
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide
SMILESO=C(NCC(c1cccnc1)N1CCN(c2ccccc2)CC1)c1ccco1
InChIInChI=1S/C22H24N4O2/c27-22(21-9-5-15-28-21)24-17-20(18-6-4-10-23-16-18)26-13-11-25(12-14-26)19-7-2-1-3-8-19/h1-10,15-16,20H,11-14,17H2,(H,24,27)
InChIKeyLPGMAQVEXRNQJC-UHFFFAOYSA-N
XLogP2.97
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Bradanicline
CID 25147644
(R)-N-(4-(tert-Butyl)phenyl)-N-(2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl)furan-2-carboxamide
CID 46897844
N-[(3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
CID 71463351
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
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
Benzofuran-2-carboxylic acid ((2R,3R)-2-pyridin-3-ylmethyl-1-aza-bicyclo[2.2.2]oct-3-yl)-amide
CID 44225415
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-{2-Furan-2-yl-1-[(pyridin-2-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5765254

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide (CID 3239948) is N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide is O=C(NCC(c1cccnc1)N1CCN(c2ccccc2)CC1)c1ccco1.
What is the InChIKey of N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide?
The InChIKey is LPGMAQVEXRNQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-22(21-9-5-15-28-21)24-17-20(18-6-4-10-23-16-18)26-13-11-25(12-14-26)19-7-2-1-3-8-19/h1-10,15-16,20H,11-14,17H2,(H,24,27).
What are the key properties of N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide?
N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 3239948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).