(2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide

C20H25ClN4O2 — CID 168877661

IUPAC(2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide
SMILESCOc1ccc([C@H]2C[C@@H](C)CN([C@@H](C)C(=O)Nc3ccc(Cl)cn3)C2)cn1
InChIInChI=1S/C20H25ClN4O2/c1-13-8-16(15-4-7-19(27-3)23-9-15)12-25(11-13)14(2)20(26)24-18-6-5-17(21)10-22-18/h4-7,9-10,13-14,16H,8,11-12H2,1-3H3,(H,22,24,26)/t13-,14+,16+/m1/s1
InChIKeyBDVGXAJISDEOKG-YCPHGPKFSA-N
MW388.90 g/mol
LogP3.59
Rot. Bonds5

About (2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide

(2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide (PubChem CID 168877661) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide
PubChem CID168877661
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name(2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide
SMILESCOc1ccc([C@H]2C[C@@H](C)CN([C@@H](C)C(=O)Nc3ccc(Cl)cn3)C2)cn1
InChIInChI=1S/C20H25ClN4O2/c1-13-8-16(15-4-7-19(27-3)23-9-15)12-25(11-13)14(2)20(26)24-18-6-5-17(21)10-22-18/h4-7,9-10,13-14,16H,8,11-12H2,1-3H3,(H,22,24,26)/t13-,14+,16+/m1/s1
InChIKeyBDVGXAJISDEOKG-YCPHGPKFSA-N
XLogP3.59
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide with MolForge

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Related Compounds

(2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 164584542
2-[3,3-difluoro-5-(6-methoxy-3-pyridinyl)piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide
CID 163238229
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-(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
(2S)-N-(5-chloro-2-pyridinyl)-2-[(3S)-3-(1-oxidopyridin-1-ium-4-yl)piperidin-1-yl]propanamide
CID 164734825
(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
(2S)-N-(5-chloro-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propanamide
CID 164584521
(2R)-N-(2,4-dichlorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 98319171

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide (CID 168877661) is (2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide is COc1ccc([C@H]2C[C@@H](C)CN([C@@H](C)C(=O)Nc3ccc(Cl)cn3)C2)cn1.
What is the InChIKey of (2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide?
The InChIKey is BDVGXAJISDEOKG-YCPHGPKFSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-13-8-16(15-4-7-19(27-3)23-9-15)12-25(11-13)14(2)20(26)24-18-6-5-17(21)10-22-18/h4-7,9-10,13-14,16H,8,11-12H2,1-3H3,(H,22,24,26)/t13-,14+,16+/m1/s1.
What are the key properties of (2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide?
(2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide has a molecular weight of 388.90 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide is sourced from PubChem (CID 168877661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).