(2S)-N-(5-chloro-2-pyridinyl)-2-(4-fluoropiperidin-1-yl)propanamide

C13H17ClFN3O — CID 164584586

IUPAC(2S)-N-(5-chloro-2-pyridinyl)-2-(4-fluoropiperidin-1-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCC(F)CC1
InChIInChI=1S/C13H17ClFN3O/c1-9(18-6-4-11(15)5-7-18)13(19)17-12-3-2-10(14)8-16-12/h2-3,8-9,11H,4-7H2,1H3,(H,16,17,19)/t9-/m0/s1
InChIKeyDTAXPGKPEZQBMP-VIFPVBQESA-N
MW285.75 g/mol
LogP2.50
Rot. Bonds3

About (2S)-N-(5-chloro-2-pyridinyl)-2-(4-fluoropiperidin-1-yl)propanamide

(2S)-N-(5-chloro-2-pyridinyl)-2-(4-fluoropiperidin-1-yl)propanamide (PubChem CID 164584586) has the molecular formula C13H17ClFN3O and a molecular weight of 285.75 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-pyridinyl)-2-(4-fluoropiperidin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-pyridinyl)-2-(4-fluoropiperidin-1-yl)propanamide
PubChem CID164584586
Molecular FormulaC13H17ClFN3O
Molecular Weight285.75 g/mol
Exact Mass285.10
IUPAC Name(2S)-N-(5-chloro-2-pyridinyl)-2-(4-fluoropiperidin-1-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCC(F)CC1
InChIInChI=1S/C13H17ClFN3O/c1-9(18-6-4-11(15)5-7-18)13(19)17-12-3-2-10(14)8-16-12/h2-3,8-9,11H,4-7H2,1H3,(H,16,17,19)/t9-/m0/s1
InChIKeyDTAXPGKPEZQBMP-VIFPVBQESA-N
XLogP2.50
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 110019983
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)propanamide;hydrochloride
CID 120775078
(2S)-N-(5-chloro-2-pyridinyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 94799522
(2R)-N-(5-chloro-2-pyridinyl)-2-[(3R)-3-hydroxypiperidin-1-yl]propanamide
CID 98762896
1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55816221
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)propanamide
CID 31872788
(2R)-N-(5-chloro-2-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 25397777
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 25340743
N-(5-chloro-2-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 55816065
(2S)-N-(5-chloro-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propanamide
CID 164584521
(2S)-N-(5-chloro-2-pyridinyl)-2-[(3R)-3-(triazol-2-yl)piperidin-1-yl]propanamide
CID 164584610
(2R)-N-(5-chloro-2-pyridinyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
CID 30721120

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-(4-fluoropiperidin-1-yl)propanamide?
The IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-(4-fluoropiperidin-1-yl)propanamide (CID 164584586) is (2S)-N-(5-chloro-2-pyridinyl)-2-(4-fluoropiperidin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-pyridinyl)-2-(4-fluoropiperidin-1-yl)propanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-pyridinyl)-2-(4-fluoropiperidin-1-yl)propanamide is C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCC(F)CC1.
What is the InChIKey of (2S)-N-(5-chloro-2-pyridinyl)-2-(4-fluoropiperidin-1-yl)propanamide?
The InChIKey is DTAXPGKPEZQBMP-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17ClFN3O/c1-9(18-6-4-11(15)5-7-18)13(19)17-12-3-2-10(14)8-16-12/h2-3,8-9,11H,4-7H2,1H3,(H,16,17,19)/t9-/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-pyridinyl)-2-(4-fluoropiperidin-1-yl)propanamide?
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-fluoropiperidin-1-yl)propanamide has a molecular weight of 285.75 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-pyridinyl)-2-(4-fluoropiperidin-1-yl)propanamide is sourced from PubChem (CID 164584586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).