3-[6-amino-5-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide

C22H23FN4O2 — CID 25107317

IUPAC3-[6-amino-5-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1cccc(-c2cnc(N)c(-c3ccc(O)c(F)c3)c2)c1
InChIInChI=1S/C22H23FN4O2/c1-27(2)9-8-25-22(29)16-5-3-4-14(10-16)17-11-18(21(24)26-13-17)15-6-7-20(28)19(23)12-15/h3-7,10-13,28H,8-9H2,1-2H3,(H2,24,26)(H,25,29)
InChIKeyATWYIMKFHNNFNX-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.13
Rot. Bonds6

About 3-[6-amino-5-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide

3-[6-amino-5-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 25107317) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 3-[6-amino-5-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-[6-amino-5-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID25107317
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name3-[6-amino-5-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1cccc(-c2cnc(N)c(-c3ccc(O)c(F)c3)c2)c1
InChIInChI=1S/C22H23FN4O2/c1-27(2)9-8-25-22(29)16-5-3-4-14(10-16)17-11-18(21(24)26-13-17)15-6-7-20(28)19(23)12-15/h3-7,10-13,28H,8-9H2,1-2H3,(H2,24,26)(H,25,29)
InChIKeyATWYIMKFHNNFNX-UHFFFAOYSA-N
XLogP3.13
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6'-amino-4'-ethyl-5'-(4-hydroxyphenyl)-N-methyl-[3,3'-bipyridine]-6-carboxamide
CID 122531750
(2S)-1-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-N-[(2S)-1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]pyrrolidine-2-carboxamide
CID 44345783
4-{4-[3-(5-Carbamimidoyl-2-hydroxy-phenyl)-allylcarbamoyl]-phenyl}-pyridine-2-carboxylic acid amide
CID 135404951
(3-Tert-butyl-4-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 46914575
6-(3,5-dimethylphenyl)-3-(4-hydroxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 140762327
4-[3-(3,5-difluoro-4-hydroxyphenyl)-4-pyridinyl]-N-methylbenzamide
CID 122186028
N-[3-(5-Carbamimidoyl-2-hydroxy-phenyl)-propyl]-4-pyridin-3-yl-benzamide
CID 136058176
6-(3,5-Dimethylphenyl)-5-[[ethyl-[2-(methylamino)ethyl]amino]methyl]-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one
CID 162651633
4-[4-(3-ethyl-4-hydroxyphenyl)phenyl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide
CID 44452165
(Z)-5-fluoro-N-(5-(1-(4-hydroxyphenyl)prop-1-en-1-yl)pyridin-2-yl)-4-methylnicotinamide
CID 71010115
5-[(2-Aminoethylamino)methyl]-6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one
CID 162662782
4-[4-(3-ethyl-4-hydroxyphenyl)phenyl]-4-oxo-N-(pyridin-2-ylmethyl)butanamide
CID 24995812

Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-5-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 3-[6-amino-5-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide (CID 25107317) is 3-[6-amino-5-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 3-[6-amino-5-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 3-[6-amino-5-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide is CN(C)CCNC(=O)c1cccc(-c2cnc(N)c(-c3ccc(O)c(F)c3)c2)c1.
What is the InChIKey of 3-[6-amino-5-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is ATWYIMKFHNNFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-27(2)9-8-25-22(29)16-5-3-4-14(10-16)17-11-18(21(24)26-13-17)15-6-7-20(28)19(23)12-15/h3-7,10-13,28H,8-9H2,1-2H3,(H2,24,26)(H,25,29).
What are the key properties of 3-[6-amino-5-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide?
3-[6-amino-5-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 394.45 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-5-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 25107317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).