N-pyridin-2-yl-1-[2-(pyridin-3-ylmethylsulfanyl)acetyl]piperidine-4-carboxamide

C19H22N4O2S — CID 55808540

IUPACN-pyridin-2-yl-1-[2-(pyridin-3-ylmethylsulfanyl)acetyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccn1)C1CCN(C(=O)CSCc2cccnc2)CC1
InChIInChI=1S/C19H22N4O2S/c24-18(14-26-13-15-4-3-8-20-12-15)23-10-6-16(7-11-23)19(25)22-17-5-1-2-9-21-17/h1-5,8-9,12,16H,6-7,10-11,13-14H2,(H,21,22,25)
InChIKeyFDZIUJFAFXCJDG-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.59
Rot. Bonds6

About N-pyridin-2-yl-1-[2-(pyridin-3-ylmethylsulfanyl)acetyl]piperidine-4-carboxamide

N-pyridin-2-yl-1-[2-(pyridin-3-ylmethylsulfanyl)acetyl]piperidine-4-carboxamide (PubChem CID 55808540) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-pyridin-2-yl-1-[2-(pyridin-3-ylmethylsulfanyl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-pyridin-2-yl-1-[2-(pyridin-3-ylmethylsulfanyl)acetyl]piperidine-4-carboxamide
PubChem CID55808540
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-pyridin-2-yl-1-[2-(pyridin-3-ylmethylsulfanyl)acetyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccn1)C1CCN(C(=O)CSCc2cccnc2)CC1
InChIInChI=1S/C19H22N4O2S/c24-18(14-26-13-15-4-3-8-20-12-15)23-10-6-16(7-11-23)19(25)22-17-5-1-2-9-21-17/h1-5,8-9,12,16H,6-7,10-11,13-14H2,(H,21,22,25)
InChIKeyFDZIUJFAFXCJDG-UHFFFAOYSA-N
XLogP2.59
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-phenylsulfanylacetyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808341
1-N-[2-(6-methyl-3-pyridinyl)ethyl]-4-N-pyridin-2-ylpiperidine-1,4-dicarboxamide
CID 75463453
1-(furan-2-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 17081700
1-[3-(4-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 110246626
1-(2-ethoxypyridine-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808630
1-(5-benzyl-2-hydroxybenzoyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 51132718
N-pyridin-2-yl-1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidine-4-carboxamide
CID 55808596
1-(3-phenoxypropanoyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 55860208
2-benzylsulfanyl-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone
CID 71800682
1-(1-methylindole-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 51123650
N-(4-methyl-2-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46411285
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861

Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-1-[2-(pyridin-3-ylmethylsulfanyl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-pyridin-2-yl-1-[2-(pyridin-3-ylmethylsulfanyl)acetyl]piperidine-4-carboxamide (CID 55808540) is N-pyridin-2-yl-1-[2-(pyridin-3-ylmethylsulfanyl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-pyridin-2-yl-1-[2-(pyridin-3-ylmethylsulfanyl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-pyridin-2-yl-1-[2-(pyridin-3-ylmethylsulfanyl)acetyl]piperidine-4-carboxamide is O=C(Nc1ccccn1)C1CCN(C(=O)CSCc2cccnc2)CC1.
What is the InChIKey of N-pyridin-2-yl-1-[2-(pyridin-3-ylmethylsulfanyl)acetyl]piperidine-4-carboxamide?
The InChIKey is FDZIUJFAFXCJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c24-18(14-26-13-15-4-3-8-20-12-15)23-10-6-16(7-11-23)19(25)22-17-5-1-2-9-21-17/h1-5,8-9,12,16H,6-7,10-11,13-14H2,(H,21,22,25).
What are the key properties of N-pyridin-2-yl-1-[2-(pyridin-3-ylmethylsulfanyl)acetyl]piperidine-4-carboxamide?
N-pyridin-2-yl-1-[2-(pyridin-3-ylmethylsulfanyl)acetyl]piperidine-4-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-1-[2-(pyridin-3-ylmethylsulfanyl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 55808540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).