(2R)-N-(5-pyridin-2-yl-2-pyridinyl)-2-thiomorpholin-4-ylpropanamide

C17H20N4OS — CID 97251269

IUPAC(2R)-N-(5-pyridin-2-yl-2-pyridinyl)-2-thiomorpholin-4-ylpropanamide
SMILESC[C@H](C(=O)Nc1ccc(-c2ccccn2)cn1)N1CCSCC1
InChIInChI=1S/C17H20N4OS/c1-13(21-8-10-23-11-9-21)17(22)20-16-6-5-14(12-19-16)15-4-2-3-7-18-15/h2-7,12-13H,8-11H2,1H3,(H,19,20,22)/t13-/m1/s1
InChIKeyPORRKAAERIKXPI-CYBMUJFWSA-N
MW328.44 g/mol
LogP2.52
Rot. Bonds4

About (2R)-N-(5-pyridin-2-yl-2-pyridinyl)-2-thiomorpholin-4-ylpropanamide

(2R)-N-(5-pyridin-2-yl-2-pyridinyl)-2-thiomorpholin-4-ylpropanamide (PubChem CID 97251269) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is (2R)-N-(5-pyridin-2-yl-2-pyridinyl)-2-thiomorpholin-4-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-(5-pyridin-2-yl-2-pyridinyl)-2-thiomorpholin-4-ylpropanamide
PubChem CID97251269
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name(2R)-N-(5-pyridin-2-yl-2-pyridinyl)-2-thiomorpholin-4-ylpropanamide
SMILESC[C@H](C(=O)Nc1ccc(-c2ccccn2)cn1)N1CCSCC1
InChIInChI=1S/C17H20N4OS/c1-13(21-8-10-23-11-9-21)17(22)20-16-6-5-14(12-19-16)15-4-2-3-7-18-15/h2-7,12-13H,8-11H2,1H3,(H,19,20,22)/t13-/m1/s1
InChIKeyPORRKAAERIKXPI-CYBMUJFWSA-N
XLogP2.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(5-chloro-2-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 25397777
2-(2-oxopyrrolidin-1-yl)-N-(5-pyridin-2-yl-2-pyridinyl)butanamide
CID 84594786
N-[3-(1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-4-ylpropanamide
CID 75388529
(2S)-2-(6-oxa-9-azaspiro[4.5]decan-9-yl)-N-pyridin-2-ylpropanamide
CID 124755099
N-[3-(2-methylpyrimidin-4-yl)phenyl]-2-thiomorpholin-4-ylpropanamide
CID 122138158
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 25340743
(2R)-N-(5-chloro-2-pyridinyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 30956228
2-(4-morpholin-4-ylpiperidin-1-yl)-N-pyridin-2-ylpropanamide
CID 91830061
N-(2-phenylphenyl)-2-(1,4-thiazepan-4-yl)propanamide
CID 42962435
1-phenyl-2-thiomorpholin-4-ylpropan-1-one
CID 60863276
N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 18078446
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-fluoropiperidin-1-yl)propanamide
CID 164584586

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-pyridin-2-yl-2-pyridinyl)-2-thiomorpholin-4-ylpropanamide?
The IUPAC name of (2R)-N-(5-pyridin-2-yl-2-pyridinyl)-2-thiomorpholin-4-ylpropanamide (CID 97251269) is (2R)-N-(5-pyridin-2-yl-2-pyridinyl)-2-thiomorpholin-4-ylpropanamide.
What is the SMILES notation for (2R)-N-(5-pyridin-2-yl-2-pyridinyl)-2-thiomorpholin-4-ylpropanamide?
The canonical SMILES for (2R)-N-(5-pyridin-2-yl-2-pyridinyl)-2-thiomorpholin-4-ylpropanamide is C[C@H](C(=O)Nc1ccc(-c2ccccn2)cn1)N1CCSCC1.
What is the InChIKey of (2R)-N-(5-pyridin-2-yl-2-pyridinyl)-2-thiomorpholin-4-ylpropanamide?
The InChIKey is PORRKAAERIKXPI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-13(21-8-10-23-11-9-21)17(22)20-16-6-5-14(12-19-16)15-4-2-3-7-18-15/h2-7,12-13H,8-11H2,1H3,(H,19,20,22)/t13-/m1/s1.
What are the key properties of (2R)-N-(5-pyridin-2-yl-2-pyridinyl)-2-thiomorpholin-4-ylpropanamide?
(2R)-N-(5-pyridin-2-yl-2-pyridinyl)-2-thiomorpholin-4-ylpropanamide has a molecular weight of 328.44 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-pyridin-2-yl-2-pyridinyl)-2-thiomorpholin-4-ylpropanamide is sourced from PubChem (CID 97251269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).