(2S)-N-(5-chloro-2-pyridinyl)-2-[(3R)-3-(triazol-2-yl)piperidin-1-yl]propanamide

C15H19ClN6O — CID 164584610

IUPAC(2S)-N-(5-chloro-2-pyridinyl)-2-[(3R)-3-(triazol-2-yl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCC[C@@H](n2nccn2)C1
InChIInChI=1S/C15H19ClN6O/c1-11(15(23)20-14-5-4-12(16)9-17-14)21-8-2-3-13(10-21)22-18-6-7-19-22/h4-7,9,11,13H,2-3,8,10H2,1H3,(H,17,20,23)/t11-,13+/m0/s1
InChIKeyXYKFOTGMDJIHOZ-WCQYABFASA-N
MW334.81 g/mol
LogP1.99
Rot. Bonds4

About (2S)-N-(5-chloro-2-pyridinyl)-2-[(3R)-3-(triazol-2-yl)piperidin-1-yl]propanamide

(2S)-N-(5-chloro-2-pyridinyl)-2-[(3R)-3-(triazol-2-yl)piperidin-1-yl]propanamide (PubChem CID 164584610) has the molecular formula C15H19ClN6O and a molecular weight of 334.81 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-pyridinyl)-2-[(3R)-3-(triazol-2-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-pyridinyl)-2-[(3R)-3-(triazol-2-yl)piperidin-1-yl]propanamide
PubChem CID164584610
Molecular FormulaC15H19ClN6O
Molecular Weight334.81 g/mol
Exact Mass334.13
IUPAC Name(2S)-N-(5-chloro-2-pyridinyl)-2-[(3R)-3-(triazol-2-yl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCC[C@@H](n2nccn2)C1
InChIInChI=1S/C15H19ClN6O/c1-11(15(23)20-14-5-4-12(16)9-17-14)21-8-2-3-13(10-21)22-18-6-7-19-22/h4-7,9,11,13H,2-3,8,10H2,1H3,(H,17,20,23)/t11-,13+/m0/s1
InChIKeyXYKFOTGMDJIHOZ-WCQYABFASA-N
XLogP1.99
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(5-chloro-2-pyridinyl)-2-[(3R)-3-hydroxypiperidin-1-yl]propanamide
CID 98762896
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(2S)-N-(5-chloro-2-pyridinyl)-2-[(3S)-3-(1-oxidopyridin-1-ium-4-yl)piperidin-1-yl]propanamide
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CID 110019983
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-fluoropiperidin-1-yl)propanamide
CID 164584586
N-(5-chloro-2-pyridinyl)-2-[3-(5-methoxypyrazin-2-yl)piperidin-1-yl]propanamide;ethane
CID 163237865
(2S)-N-(5-chloro-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propanamide
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(3S)-1-[(2S)-1-amino-1-oxopropan-2-yl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 94135862
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)propanamide
CID 31872788
N-(5-chloro-2-pyridinyl)-2-[3-[(1Z)-3-hydroxy-1-(methylamino)buta-1,3-dienyl]piperidin-1-yl]propanamide;propane
CID 164584652
(2R)-N-(5-chloro-2-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 25397777
N-(5-chloro-2-pyridinyl)-1-propan-2-ylpiperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-[(3R)-3-(triazol-2-yl)piperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-[(3R)-3-(triazol-2-yl)piperidin-1-yl]propanamide (CID 164584610) is (2S)-N-(5-chloro-2-pyridinyl)-2-[(3R)-3-(triazol-2-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-pyridinyl)-2-[(3R)-3-(triazol-2-yl)piperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-pyridinyl)-2-[(3R)-3-(triazol-2-yl)piperidin-1-yl]propanamide is C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCC[C@@H](n2nccn2)C1.
What is the InChIKey of (2S)-N-(5-chloro-2-pyridinyl)-2-[(3R)-3-(triazol-2-yl)piperidin-1-yl]propanamide?
The InChIKey is XYKFOTGMDJIHOZ-WCQYABFASA-N. The full InChI is InChI=1S/C15H19ClN6O/c1-11(15(23)20-14-5-4-12(16)9-17-14)21-8-2-3-13(10-21)22-18-6-7-19-22/h4-7,9,11,13H,2-3,8,10H2,1H3,(H,17,20,23)/t11-,13+/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-pyridinyl)-2-[(3R)-3-(triazol-2-yl)piperidin-1-yl]propanamide?
(2S)-N-(5-chloro-2-pyridinyl)-2-[(3R)-3-(triazol-2-yl)piperidin-1-yl]propanamide has a molecular weight of 334.81 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-pyridinyl)-2-[(3R)-3-(triazol-2-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 164584610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).