N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide

C17H21N5OS — CID 91789394

IUPACN-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NCC1CCCN(c2ccccn2)C1
InChIInChI=1S/C17H21N5OS/c23-16(13-24-17-19-8-4-9-20-17)21-11-14-5-3-10-22(12-14)15-6-1-2-7-18-15/h1-2,4,6-9,14H,3,5,10-13H2,(H,21,23)
InChIKeyNJQLHMJCBAQWHY-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.00
Rot. Bonds6

About N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide

N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 91789394) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID91789394
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC NameN-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NCC1CCCN(c2ccccn2)C1
InChIInChI=1S/C17H21N5OS/c23-16(13-24-17-19-8-4-9-20-17)21-11-14-5-3-10-22(12-14)15-6-1-2-7-18-15/h1-2,4,6-9,14H,3,5,10-13H2,(H,21,23)
InChIKeyNJQLHMJCBAQWHY-UHFFFAOYSA-N
XLogP2.00
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzotriazol-2-yl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]acetamide
CID 91779081
3-(methanesulfonamido)-N-[[(3R)-1-pyridin-2-ylpiperidin-3-yl]methyl]propanamide
CID 124749653
N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 91760004
6-cyano-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 91844279
3-phenyl-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrazolidine-4-carboxamide
CID 134081045
6-cyano-N-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide
CID 124752431
1-(2-methoxyacetyl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide
CID 72923083
1-methyl-2,4-dioxo-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 90648225
N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide
CID 99971826
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]acetamide
CID 99926421
1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[[(3R)-1-pyridin-2-ylpiperidin-3-yl]methyl]urea
CID 97444185
1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]urea
CID 97444186

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide (CID 91789394) is N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide is O=C(CSc1ncccn1)NCC1CCCN(c2ccccn2)C1.
What is the InChIKey of N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is NJQLHMJCBAQWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c23-16(13-24-17-19-8-4-9-20-17)21-11-14-5-3-10-22(12-14)15-6-1-2-7-18-15/h1-2,4,6-9,14H,3,5,10-13H2,(H,21,23).
What are the key properties of N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide?
N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 343.46 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 91789394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).