N-(2,4-difluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide

C20H21F2N5O — CID 119038879

IUPACN-(2,4-difluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1F)N1CCC(c2nnc3ccccn23)CC1
InChIInChI=1S/C20H21F2N5O/c1-13(20(28)23-17-6-5-15(21)12-16(17)22)26-10-7-14(8-11-26)19-25-24-18-4-2-3-9-27(18)19/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,23,28)
InChIKeyUUSWCILEAJOVLE-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.21
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide

N-(2,4-difluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide (PubChem CID 119038879) has the molecular formula C20H21F2N5O and a molecular weight of 385.42 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
PubChem CID119038879
Molecular FormulaC20H21F2N5O
Molecular Weight385.42 g/mol
Exact Mass385.17
IUPAC NameN-(2,4-difluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1F)N1CCC(c2nnc3ccccn23)CC1
InChIInChI=1S/C20H21F2N5O/c1-13(20(28)23-17-6-5-15(21)12-16(17)22)26-10-7-14(8-11-26)19-25-24-18-4-2-3-9-27(18)19/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,23,28)
InChIKeyUUSWCILEAJOVLE-UHFFFAOYSA-N
XLogP3.21
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(2,4-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
CID 100851243
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
CID 78842126
N-prop-2-enyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
CID 86909959
(2S)-2-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)propanamide
CID 9430606
(2S)-N-(2-chlorophenyl)-2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
CID 100857802
N-(4-chloro-2-fluorophenyl)-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
CID 78830176
N-(2,4-difluorophenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide
CID 86914703
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
CID 78841914
1-(2,4-difluorophenyl)-3-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
CID 95154279
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide
CID 9444961
3-[1-[(2S)-butan-2-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 99782748
(2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 9444011

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide (CID 119038879) is N-(2,4-difluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide is CC(C(=O)Nc1ccc(F)cc1F)N1CCC(c2nnc3ccccn23)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide?
The InChIKey is UUSWCILEAJOVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O/c1-13(20(28)23-17-6-5-15(21)12-16(17)22)26-10-7-14(8-11-26)19-25-24-18-4-2-3-9-27(18)19/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,23,28).
What are the key properties of N-(2,4-difluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide?
N-(2,4-difluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide has a molecular weight of 385.42 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 119038879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).