4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide

C22H24FN5O2 — CID 123270984

IUPAC4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide
SMILESCN(Cc1cnccn1)C(=O)c1ccc(CCNCC(O)c2cncc(F)c2)cc1
InChIInChI=1S/C22H24FN5O2/c1-28(15-20-13-25-8-9-27-20)22(30)17-4-2-16(3-5-17)6-7-24-14-21(29)18-10-19(23)12-26-11-18/h2-5,8-13,21,24,29H,6-7,14-15H2,1H3
InChIKeyVGTMUXPOAADPDN-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.15
Rot. Bonds9

About 4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide

4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide (PubChem CID 123270984) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide
PubChem CID123270984
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide
SMILESCN(Cc1cnccn1)C(=O)c1ccc(CCNCC(O)c2cncc(F)c2)cc1
InChIInChI=1S/C22H24FN5O2/c1-28(15-20-13-25-8-9-27-20)22(30)17-4-2-16(3-5-17)6-7-24-14-21(29)18-10-19(23)12-26-11-18/h2-5,8-13,21,24,29H,6-7,14-15H2,1H3
InChIKeyVGTMUXPOAADPDN-UHFFFAOYSA-N
XLogP2.15
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 123984244
4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methyl-N-[(5-methyl-3-pyridinyl)methyl]benzamide
CID 144821842
4-[2-[[2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(1-pyrazin-2-ylethyl)benzamide
CID 123180607
(2S)-2-(4-fluorophenyl)-2-hydroxy-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 99974191
N-[(4-chloro-5-methyl-4,5-dihydro-1H-pyrazol-3-yl)methyl]-4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-N-methylbenzamide
CID 139419289
N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-4-[2-[[2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methylbenzamide
CID 123145441
4-[2-[[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-[(3-ethoxy-1H-pyrazol-5-yl)methyl]-N-methylbenzamide
CID 139419356
4-[[5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide
CID 123824767
2-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62762139
N-methyl-4-(4-methylpiperazin-1-yl)-N-(pyrazin-2-ylmethyl)benzamide
CID 77082553
4-[4-[2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-3-methylbenzoic acid
CID 69051953
4-(4-fluorophenyl)-N,5-dimethyl-N-(pyrazin-2-ylmethyl)thiophene-2-carboxamide
CID 71856751

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide?
The IUPAC name of 4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide (CID 123270984) is 4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide?
The canonical SMILES for 4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide is CN(Cc1cnccn1)C(=O)c1ccc(CCNCC(O)c2cncc(F)c2)cc1.
What is the InChIKey of 4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide?
The InChIKey is VGTMUXPOAADPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c1-28(15-20-13-25-8-9-27-20)22(30)17-4-2-16(3-5-17)6-7-24-14-21(29)18-10-19(23)12-26-11-18/h2-5,8-13,21,24,29H,6-7,14-15H2,1H3.
What are the key properties of 4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide?
4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide has a molecular weight of 409.47 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide is sourced from PubChem (CID 123270984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).