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

C15H22ClN3O — CID 9430826

IUPAC(2S)-N-(2-chloro-3-pyridinyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
SMILESC[C@@H]1C[C@H](C)CN([C@@H](C)C(=O)Nc2cccnc2Cl)C1
InChIInChI=1S/C15H22ClN3O/c1-10-7-11(2)9-19(8-10)12(3)15(20)18-13-5-4-6-17-14(13)16/h4-6,10-12H,7-9H2,1-3H3,(H,18,20)/t10-,11+,12-/m0/s1
InChIKeyGSYFBXKLXALVMU-TUAOUCFPSA-N
MW295.81 g/mol
LogP3.04
Rot. Bonds3

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

(2S)-N-(2-chloro-3-pyridinyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide (PubChem CID 9430826) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is (2S)-N-(2-chloro-3-pyridinyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-chloro-3-pyridinyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
PubChem CID9430826
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name(2S)-N-(2-chloro-3-pyridinyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
SMILESC[C@@H]1C[C@H](C)CN([C@@H](C)C(=O)Nc2cccnc2Cl)C1
InChIInChI=1S/C15H22ClN3O/c1-10-7-11(2)9-19(8-10)12(3)15(20)18-13-5-4-6-17-14(13)16/h4-6,10-12H,7-9H2,1-3H3,(H,18,20)/t10-,11+,12-/m0/s1
InChIKeyGSYFBXKLXALVMU-TUAOUCFPSA-N
XLogP3.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(azepan-1-yl)-N-(2-chloro-3-pyridinyl)propanamide
CID 9249896
(2R)-N-(3-chloro-2-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430806
(2S)-N-(2-chloro-3-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 9445495
(2R)-N-(4-chlorophenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 98319058
(2R)-N-(2,4-dichlorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 98319171
(2R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-phenylpropanamide
CID 100844501
N-(2-chloro-3-pyridinyl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide
CID 111497048
(2S)-N-(4-chloro-2-fluorophenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430814
N-(3-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 18083488
2-bromo-N-(2-chloro-3-pyridinyl)propanamide
CID 107903037
N-(5-chloro-2-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 55816065
N-(2-chloro-3-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide
CID 44824002

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-chloro-3-pyridinyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(2-chloro-3-pyridinyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide (CID 9430826) is (2S)-N-(2-chloro-3-pyridinyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(2-chloro-3-pyridinyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(2-chloro-3-pyridinyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide is C[C@@H]1C[C@H](C)CN([C@@H](C)C(=O)Nc2cccnc2Cl)C1.
What is the InChIKey of (2S)-N-(2-chloro-3-pyridinyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide?
The InChIKey is GSYFBXKLXALVMU-TUAOUCFPSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-10-7-11(2)9-19(8-10)12(3)15(20)18-13-5-4-6-17-14(13)16/h4-6,10-12H,7-9H2,1-3H3,(H,18,20)/t10-,11+,12-/m0/s1.
What are the key properties of (2S)-N-(2-chloro-3-pyridinyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide?
(2S)-N-(2-chloro-3-pyridinyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide has a molecular weight of 295.81 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-chloro-3-pyridinyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide is sourced from PubChem (CID 9430826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).