3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]benzamide

C22H23FN4O — CID 165119006

IUPAC3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(C2=CCNCC2)nc1)c1ccc(C2=CCNCC2)c(F)c1
InChIInChI=1S/C22H23FN4O/c23-20-13-17(1-3-19(20)15-5-9-24-10-6-15)22(28)27-18-2-4-21(26-14-18)16-7-11-25-12-8-16/h1-5,7,13-14,24-25H,6,8-12H2,(H,27,28)
InChIKeyFHDUCKIDQCIZLR-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.23
Rot. Bonds4

About 3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]benzamide

3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]benzamide (PubChem CID 165119006) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]benzamide
PubChem CID165119006
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(C2=CCNCC2)nc1)c1ccc(C2=CCNCC2)c(F)c1
InChIInChI=1S/C22H23FN4O/c23-20-13-17(1-3-19(20)15-5-9-24-10-6-15)22(28)27-18-2-4-21(26-14-18)16-7-11-25-12-8-16/h1-5,7,13-14,24-25H,6,8-12H2,(H,27,28)
InChIKeyFHDUCKIDQCIZLR-UHFFFAOYSA-N
XLogP3.23
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118667
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
N-[3-ethyl-4-[(E)-pent-2-en-3-yl]phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118474
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
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-N-[5-[(E)-pent-2-en-3-yl]pyrazin-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118995
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
N-(2-aminophenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide
CID 69360095
tert-butyl 4-[2-fluoro-4-[[3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzoyl]amino]phenyl]piperazine-1-carboxylate
CID 167190429
3-chloro-N-[3-chloro-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;bis(2,2,2-trifluoroacetic acid)
CID 175769493
3-fluoro-N-[6-[(E)-pent-2-en-3-yl]pyridazin-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118912
tert-butyl N-[[4-[[3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]carbamoyl]phenyl]methyl]carbamate
CID 165118105

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]benzamide?
The IUPAC name of 3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]benzamide (CID 165119006) is 3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]benzamide is O=C(Nc1ccc(C2=CCNCC2)nc1)c1ccc(C2=CCNCC2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]benzamide?
The InChIKey is FHDUCKIDQCIZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c23-20-13-17(1-3-19(20)15-5-9-24-10-6-15)22(28)27-18-2-4-21(26-14-18)16-7-11-25-12-8-16/h1-5,7,13-14,24-25H,6,8-12H2,(H,27,28).
What are the key properties of 3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]benzamide?
3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]benzamide has a molecular weight of 378.45 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 165119006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).