4-[1-amino-2-[[2-(2,6-difluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide

C22H20F2N4O2 — CID 67549543

IUPAC4-[1-amino-2-[[2-(2,6-difluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
SMILESNC(CNC(=O)Cc1c(F)cccc1F)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C22H20F2N4O2/c23-18-2-1-3-19(24)17(18)12-21(29)27-13-20(25)14-4-6-15(7-5-14)22(30)28-16-8-10-26-11-9-16/h1-11,20H,12-13,25H2,(H,27,29)(H,26,28,30)
InChIKeyBPJASWMJCMXLNK-UHFFFAOYSA-N
MW410.42 g/mol
LogP2.97
Rot. Bonds7

About 4-[1-amino-2-[[2-(2,6-difluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide

4-[1-amino-2-[[2-(2,6-difluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide (PubChem CID 67549543) has the molecular formula C22H20F2N4O2 and a molecular weight of 410.42 g/mol. Its IUPAC name is 4-[1-amino-2-[[2-(2,6-difluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[1-amino-2-[[2-(2,6-difluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
PubChem CID67549543
Molecular FormulaC22H20F2N4O2
Molecular Weight410.42 g/mol
Exact Mass410.16
IUPAC Name4-[1-amino-2-[[2-(2,6-difluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
SMILESNC(CNC(=O)Cc1c(F)cccc1F)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C22H20F2N4O2/c23-18-2-1-3-19(24)17(18)12-21(29)27-13-20(25)14-4-6-15(7-5-14)22(30)28-16-8-10-26-11-9-16/h1-11,20H,12-13,25H2,(H,27,29)(H,26,28,30)
InChIKeyBPJASWMJCMXLNK-UHFFFAOYSA-N
XLogP2.97
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536954
4-[1-amino-2-[[2-(4-phenylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536747
4-[1-amino-2-[(4-phenylphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 15982238
4-[1-amino-2-[[2-(2,4-difluorophenyl)-2-methylpropanoyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536787
4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide
CID 67536779
4-[1-amino-2-[(4-methoxyphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 67538548
4-[1-amino-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide
CID 15982501
4-[(1S)-1-amino-3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide;dihydrochloride
CID 67536089
3-[[2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]amino]-2-(4-fluorophenyl)-2-methyl-3-oxopropane-1-sulfonic acid
CID 174566008
(1S)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1S)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide;(1R)-N-[(2S)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 162111349
N-[(2R)-2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 71220625
4-[1-amino-2-[[1-(2-chloro-4-fluorophenyl)cyclopentanecarbonyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67538190

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-[[2-(2,6-difluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[1-amino-2-[[2-(2,6-difluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide (CID 67549543) is 4-[1-amino-2-[[2-(2,6-difluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[1-amino-2-[[2-(2,6-difluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[1-amino-2-[[2-(2,6-difluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide is NC(CNC(=O)Cc1c(F)cccc1F)c1ccc(C(=O)Nc2ccncc2)cc1.
What is the InChIKey of 4-[1-amino-2-[[2-(2,6-difluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide?
The InChIKey is BPJASWMJCMXLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O2/c23-18-2-1-3-19(24)17(18)12-21(29)27-13-20(25)14-4-6-15(7-5-14)22(30)28-16-8-10-26-11-9-16/h1-11,20H,12-13,25H2,(H,27,29)(H,26,28,30).
What are the key properties of 4-[1-amino-2-[[2-(2,6-difluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide?
4-[1-amino-2-[[2-(2,6-difluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide has a molecular weight of 410.42 g/mol, XLogP of 2.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-[[2-(2,6-difluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 67549543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).