(2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide

C17H22ClN5O — CID 164584542

IUPAC(2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
SMILESC[C@@H]1C[C@@H](c2ccn[nH]2)CN([C@@H](C)C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C17H22ClN5O/c1-11-7-13(15-5-6-20-22-15)10-23(9-11)12(2)17(24)21-16-4-3-14(18)8-19-16/h3-6,8,11-13H,7,9-10H2,1-2H3,(H,20,22)(H,19,21,24)/t11-,12+,13-/m1/s1
InChIKeyBBOUXUAJLGSBMD-FRRDWIJNSA-N
MW347.85 g/mol
LogP2.91
Rot. Bonds4

About (2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide

(2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide (PubChem CID 164584542) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
PubChem CID164584542
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC Name(2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
SMILESC[C@@H]1C[C@@H](c2ccn[nH]2)CN([C@@H](C)C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C17H22ClN5O/c1-11-7-13(15-5-6-20-22-15)10-23(9-11)12(2)17(24)21-16-4-3-14(18)8-19-16/h3-6,8,11-13H,7,9-10H2,1-2H3,(H,20,22)(H,19,21,24)/t11-,12+,13-/m1/s1
InChIKeyBBOUXUAJLGSBMD-FRRDWIJNSA-N
XLogP2.91
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 95760283
(2S)-N-(5-chloro-2-pyridinyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 94799522
(2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide
CID 168877661
(2S)-N-(5-propoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 164584667
N-(5-butoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 164584597
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-fluoropiperidin-1-yl)propanamide
CID 164584586
(3S,4S)-1-[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 120954521
(2R)-N-(4-chlorophenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 98319058
N-(5-chloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 110019983
(2R)-N-(5-chloro-2-pyridinyl)-2-[(3R)-3-hydroxypiperidin-1-yl]propanamide
CID 98762896
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)propanamide
CID 31872788

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide (CID 164584542) is (2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide is C[C@@H]1C[C@@H](c2ccn[nH]2)CN([C@@H](C)C(=O)Nc2ccc(Cl)cn2)C1.
What is the InChIKey of (2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide?
The InChIKey is BBOUXUAJLGSBMD-FRRDWIJNSA-N. The full InChI is InChI=1S/C17H22ClN5O/c1-11-7-13(15-5-6-20-22-15)10-23(9-11)12(2)17(24)21-16-4-3-14(18)8-19-16/h3-6,8,11-13H,7,9-10H2,1-2H3,(H,20,22)(H,19,21,24)/t11-,12+,13-/m1/s1.
What are the key properties of (2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide?
(2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide has a molecular weight of 347.85 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 164584542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).