3-fluoro-N-[5-[(E)-pent-2-en-3-yl]pyrazin-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide

C21H23FN4O — CID 165118995

IUPAC3-fluoro-N-[5-[(E)-pent-2-en-3-yl]pyrazin-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
SMILESC/C=C(\CC)c1cnc(NC(=O)c2ccc(C3=CCNCC3)c(F)c2)cn1
InChIInChI=1S/C21H23FN4O/c1-3-14(4-2)19-12-25-20(13-24-19)26-21(27)16-5-6-17(18(22)11-16)15-7-9-23-10-8-15/h3,5-7,11-13,23H,4,8-10H2,1-2H3,(H,25,26,27)/b14-3+
InChIKeyCGZWPVYLARNFKR-LZWSPWQCSA-N
MW366.44 g/mol
LogP4.06
Rot. Bonds5

About 3-fluoro-N-[5-[(E)-pent-2-en-3-yl]pyrazin-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide

3-fluoro-N-[5-[(E)-pent-2-en-3-yl]pyrazin-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide (PubChem CID 165118995) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-fluoro-N-[5-[(E)-pent-2-en-3-yl]pyrazin-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-[5-[(E)-pent-2-en-3-yl]pyrazin-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
PubChem CID165118995
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name3-fluoro-N-[5-[(E)-pent-2-en-3-yl]pyrazin-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
SMILESC/C=C(\CC)c1cnc(NC(=O)c2ccc(C3=CCNCC3)c(F)c2)cn1
InChIInChI=1S/C21H23FN4O/c1-3-14(4-2)19-12-25-20(13-24-19)26-21(27)16-5-6-17(18(22)11-16)15-7-9-23-10-8-15/h3,5-7,11-13,23H,4,8-10H2,1-2H3,(H,25,26,27)/b14-3+
InChIKeyCGZWPVYLARNFKR-LZWSPWQCSA-N
XLogP4.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[6-[(E)-pent-2-en-3-yl]pyridazin-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118912
N-[3-ethyl-4-[(E)-pent-2-en-3-yl]phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118474
ethane;N-[3-ethyl-4-[(E)-pent-2-en-3-yl]phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118473
3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]benzamide
CID 165119006
N-[4-(aminomethyl)phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118667
N-[3-chloro-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118518
3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethoxy)phenyl]benzamide
CID 165118845
3-fluoro-N-[3-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;(Z,3E)-3-hydrazinylideneprop-1-en-1-amine
CID 165118361
4-amino-3-fluoro-N-(5-methylpyrazin-2-yl)benzamide
CID 162519877
tert-butyl N-[[4-[[3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]carbamoyl]phenyl]methyl]carbamate
CID 165118105
tert-butyl 4-[2-fluoro-4-[[3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzoyl]amino]phenyl]piperazine-1-carboxylate
CID 167190429
N-[3-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 165118046

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-[(E)-pent-2-en-3-yl]pyrazin-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide?
The IUPAC name of 3-fluoro-N-[5-[(E)-pent-2-en-3-yl]pyrazin-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide (CID 165118995) is 3-fluoro-N-[5-[(E)-pent-2-en-3-yl]pyrazin-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-[5-[(E)-pent-2-en-3-yl]pyrazin-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide?
The canonical SMILES for 3-fluoro-N-[5-[(E)-pent-2-en-3-yl]pyrazin-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide is C/C=C(\CC)c1cnc(NC(=O)c2ccc(C3=CCNCC3)c(F)c2)cn1.
What is the InChIKey of 3-fluoro-N-[5-[(E)-pent-2-en-3-yl]pyrazin-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide?
The InChIKey is CGZWPVYLARNFKR-LZWSPWQCSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-3-14(4-2)19-12-25-20(13-24-19)26-21(27)16-5-6-17(18(22)11-16)15-7-9-23-10-8-15/h3,5-7,11-13,23H,4,8-10H2,1-2H3,(H,25,26,27)/b14-3+.
What are the key properties of 3-fluoro-N-[5-[(E)-pent-2-en-3-yl]pyrazin-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide?
3-fluoro-N-[5-[(E)-pent-2-en-3-yl]pyrazin-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide has a molecular weight of 366.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-[(E)-pent-2-en-3-yl]pyrazin-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide is sourced from PubChem (CID 165118995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).