N-methyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide

C21H29N5OS — CID 45248367

IUPACN-methyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
SMILESCSc1nccc(N2CCCC(CCC(=O)N(C)CCc3ccccn3)C2)n1
InChIInChI=1S/C21H29N5OS/c1-25(15-11-18-7-3-4-12-22-18)20(27)9-8-17-6-5-14-26(16-17)19-10-13-23-21(24-19)28-2/h3-4,7,10,12-13,17H,5-6,8-9,11,14-16H2,1-2H3
InChIKeyFGGJGECOOJESDA-UHFFFAOYSA-N
MW399.56 g/mol
LogP3.29
Rot. Bonds8

About N-methyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide

N-methyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 45248367) has the molecular formula C21H29N5OS and a molecular weight of 399.56 g/mol. Its IUPAC name is N-methyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID45248367
Molecular FormulaC21H29N5OS
Molecular Weight399.56 g/mol
Exact Mass399.21
IUPAC NameN-methyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
SMILESCSc1nccc(N2CCCC(CCC(=O)N(C)CCc3ccccn3)C2)n1
InChIInChI=1S/C21H29N5OS/c1-25(15-11-18-7-3-4-12-22-18)20(27)9-8-17-6-5-14-26(16-17)19-10-13-23-21(24-19)28-2/h3-4,7,10,12-13,17H,5-6,8-9,11,14-16H2,1-2H3
InChIKeyFGGJGECOOJESDA-UHFFFAOYSA-N
XLogP3.29
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 45186154
3-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 26401309
N-methyl-3-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 25289755
N-methyl-3-[1-(7H-purin-6-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 72853686
3-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 56746231
N-methyl-N-(2-pyridin-2-ylethyl)-3-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-3-yl]propanamide
CID 45232878
3-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 45218930
N-methyl-3-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 45178210
N-methyl-N-(2-pyridin-2-ylethyl)-3-[(3S)-1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propanamide
CID 26410200
N-methyl-3-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 97282681
N-methyl-3-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 97269848
3-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 29170646

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of N-methyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide (CID 45248367) is N-methyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for N-methyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for N-methyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide is CSc1nccc(N2CCCC(CCC(=O)N(C)CCc3ccccn3)C2)n1.
What is the InChIKey of N-methyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is FGGJGECOOJESDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5OS/c1-25(15-11-18-7-3-4-12-22-18)20(27)9-8-17-6-5-14-26(16-17)19-10-13-23-21(24-19)28-2/h3-4,7,10,12-13,17H,5-6,8-9,11,14-16H2,1-2H3.
What are the key properties of N-methyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide?
N-methyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 399.56 g/mol, XLogP of 3.29, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 45248367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).