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

C22H25N4O2+ — CID 3503410

IUPACN-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide
SMILESO=C(NCC(c1cccnc1)[NH+]1CCN(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)/p+1
InChIKeyLPGMAQVEXRNQJC-UHFFFAOYSA-O
MW377.47 g/mol
LogP1.55
Rot. Bonds6

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

N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide (PubChem CID 3503410) has the molecular formula C22H25N4O2+ and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide
PubChem CID3503410
Molecular FormulaC22H25N4O2+
Molecular Weight377.47 g/mol
Exact Mass377.20
IUPAC NameN-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide
SMILESO=C(NCC(c1cccnc1)[NH+]1CCN(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)/p+1
InChIKeyLPGMAQVEXRNQJC-UHFFFAOYSA-O
XLogP1.55
TPSA62.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide
CID 3576786
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)furan-2-carboxamide
CID 3241753
N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]cyclopropanecarboxamide
CID 4059551
N'-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 7162730
N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-(furan-2-yl)ethyl]furan-2-carboxamide
CID 7162992
N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide
CID 4070202
[2-(furan-2-carbonylamino)-1-pyridin-3-ylethyl]-dimethylazanium
CID 5043626
2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 4070205
N'-cyclopropyl-N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]oxamide
CID 7162722
N-[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 4067157
N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 7162743
1-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)-3-phenylurea
CID 5211914

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide (CID 3503410) is N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide is O=C(NCC(c1cccnc1)[NH+]1CCN(c2ccccc2)CC1)c1ccco1.
What is the InChIKey of N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide?
The InChIKey is LPGMAQVEXRNQJC-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide?
N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 3503410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).