N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]propanamide

C22H23FN4O — CID 58521649

IUPACN-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]propanamide
SMILESCCC(=O)Nc1cc(Cc2cnccn2)nc(C[C@@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C22H23FN4O/c1-3-22(28)27-20-11-18(10-15(2)16-4-6-17(23)7-5-16)26-19(12-20)13-21-14-24-8-9-25-21/h4-9,11-12,14-15H,3,10,13H2,1-2H3,(H,26,27,28)/t15-/m1/s1
InChIKeyQACFAOMCBVQJSR-OAHLLOKOSA-N
MW378.45 g/mol
LogP4.30
Rot. Bonds7

About N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]propanamide

N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]propanamide (PubChem CID 58521649) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]propanamide
PubChem CID58521649
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC NameN-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]propanamide
SMILESCCC(=O)Nc1cc(Cc2cnccn2)nc(C[C@@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C22H23FN4O/c1-3-22(28)27-20-11-18(10-15(2)16-4-6-17(23)7-5-16)26-19(12-20)13-21-14-24-8-9-25-21/h4-9,11-12,14-15H,3,10,13H2,1-2H3,(H,26,27,28)/t15-/m1/s1
InChIKeyQACFAOMCBVQJSR-OAHLLOKOSA-N
XLogP4.30
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]ethanone;hydrochloride
CID 162101229
N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrazin-2-amine
CID 58521777
N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrimidin-2-amine
CID 58521779
2-[(2R)-2-(4-fluorophenyl)propyl]-N-(2-methylpropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide
CID 58521764
2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 58521790
2-[(2R)-2-(4-fluorophenyl)propyl]-N-(3-hydroxypropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide
CID 58521701
2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]pyrazine;methane;hydrochloride
CID 159656023
N-[2-[[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]amino]ethyl]acetamide
CID 58521681
5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-3-carboxamide
CID 58521688
(3S,4S)-1-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 58521641
2-[[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol;hydrochloride
CID 159266398
(Z)-but-2-enedioic acid;2-[(2R)-2-(4-fluorophenyl)propyl]-4-(pyrazin-2-ylmethyl)-6-(1H-pyrazol-4-yl)pyrimidine
CID 169424603

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]propanamide?
The IUPAC name of N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]propanamide (CID 58521649) is N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]propanamide.
What is the SMILES notation for N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]propanamide?
The canonical SMILES for N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]propanamide is CCC(=O)Nc1cc(Cc2cnccn2)nc(C[C@@H](C)c2ccc(F)cc2)c1.
What is the InChIKey of N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]propanamide?
The InChIKey is QACFAOMCBVQJSR-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-3-22(28)27-20-11-18(10-15(2)16-4-6-17(23)7-5-16)26-19(12-20)13-21-14-24-8-9-25-21/h4-9,11-12,14-15H,3,10,13H2,1-2H3,(H,26,27,28)/t15-/m1/s1.
What are the key properties of N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]propanamide?
N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]propanamide has a molecular weight of 378.45 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]propanamide is sourced from PubChem (CID 58521649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).