N-(oxan-4-yl)-6-piperidin-1-yl-2-propylsulfanylpyridine-3-carboxamide

C19H29N3O2S — CID 141207988

IUPACN-(oxan-4-yl)-6-piperidin-1-yl-2-propylsulfanylpyridine-3-carboxamide
SMILESCCCSc1nc(N2CCCCC2)ccc1C(=O)NC1CCOCC1
InChIInChI=1S/C19H29N3O2S/c1-2-14-25-19-16(18(23)20-15-8-12-24-13-9-15)6-7-17(21-19)22-10-4-3-5-11-22/h6-7,15H,2-5,8-14H2,1H3,(H,20,23)
InChIKeyWUVDCNHCARNKNO-UHFFFAOYSA-N
MW363.53 g/mol
LogP3.48
Rot. Bonds6

About N-(oxan-4-yl)-6-piperidin-1-yl-2-propylsulfanylpyridine-3-carboxamide

N-(oxan-4-yl)-6-piperidin-1-yl-2-propylsulfanylpyridine-3-carboxamide (PubChem CID 141207988) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is N-(oxan-4-yl)-6-piperidin-1-yl-2-propylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-6-piperidin-1-yl-2-propylsulfanylpyridine-3-carboxamide
PubChem CID141207988
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC NameN-(oxan-4-yl)-6-piperidin-1-yl-2-propylsulfanylpyridine-3-carboxamide
SMILESCCCSc1nc(N2CCCCC2)ccc1C(=O)NC1CCOCC1
InChIInChI=1S/C19H29N3O2S/c1-2-14-25-19-16(18(23)20-15-8-12-24-13-9-15)6-7-17(21-19)22-10-4-3-5-11-22/h6-7,15H,2-5,8-14H2,1H3,(H,20,23)
InChIKeyWUVDCNHCARNKNO-UHFFFAOYSA-N
XLogP3.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-4-yl] cyclopropanecarboxylate
CID 67246238
2-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-4-yl]-2-methylpropanoic acid
CID 24947351
2-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-3-yl]oxypropanoic acid
CID 24947349
3-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-3-yl]propanoic acid;2-[(3R)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]pyrrolidin-3-yl]acetic acid
CID 162253105
4-[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]amino]cyclohexane-1-carboxylic acid;1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]-4-propan-2-ylpiperidine-4-carboxylic acid
CID 68564127
(3S)-1-[5-(2-adamantylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 24947908
1-[5-(hexan-3-ylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidine-4-carboxylic acid
CID 58000857
4-[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 24946798
3-[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]amino]propanoic acid
CID 24946976
1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-1-ium-1-carboxylic acid
CID 69178250
[(3S)-1-[5-[methyl(oxan-4-yl)carbamoyl]-6-propylsulfanyl-2-pyridinyl]piperidin-3-yl] propanoate
CID 90737533
methyl 2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-(2-phenylethylsulfanyl)-2-pyridinyl]piperidin-3-yl]acetate
CID 59830718

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-6-piperidin-1-yl-2-propylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(oxan-4-yl)-6-piperidin-1-yl-2-propylsulfanylpyridine-3-carboxamide (CID 141207988) is N-(oxan-4-yl)-6-piperidin-1-yl-2-propylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-6-piperidin-1-yl-2-propylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-6-piperidin-1-yl-2-propylsulfanylpyridine-3-carboxamide is CCCSc1nc(N2CCCCC2)ccc1C(=O)NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-6-piperidin-1-yl-2-propylsulfanylpyridine-3-carboxamide?
The InChIKey is WUVDCNHCARNKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-2-14-25-19-16(18(23)20-15-8-12-24-13-9-15)6-7-17(21-19)22-10-4-3-5-11-22/h6-7,15H,2-5,8-14H2,1H3,(H,20,23).
What are the key properties of N-(oxan-4-yl)-6-piperidin-1-yl-2-propylsulfanylpyridine-3-carboxamide?
N-(oxan-4-yl)-6-piperidin-1-yl-2-propylsulfanylpyridine-3-carboxamide has a molecular weight of 363.53 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-6-piperidin-1-yl-2-propylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 141207988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).