N-(pyridin-2-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

C16H24N4O3S — CID 3237555

IUPACN-(pyridin-2-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccn1)C1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C16H24N4O3S/c21-16(18-13-15-5-1-2-8-17-15)14-6-11-20(12-7-14)24(22,23)19-9-3-4-10-19/h1-2,5,8,14H,3-4,6-7,9-13H2,(H,18,21)
InChIKeyUTFXCBOYVVVOGQ-UHFFFAOYSA-N
MW352.46 g/mol
LogP0.75
Rot. Bonds5

About N-(pyridin-2-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

N-(pyridin-2-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3237555) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID3237555
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC NameN-(pyridin-2-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccn1)C1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C16H24N4O3S/c21-16(18-13-15-5-1-2-8-17-15)14-6-11-20(12-7-14)24(22,23)19-9-3-4-10-19/h1-2,5,8,14H,3-4,6-7,9-13H2,(H,18,21)
InChIKeyUTFXCBOYVVVOGQ-UHFFFAOYSA-N
XLogP0.75
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (CID 3237555) is N-(pyridin-2-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is O=C(NCc1ccccn1)C1CCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is UTFXCBOYVVVOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c21-16(18-13-15-5-1-2-8-17-15)14-6-11-20(12-7-14)24(22,23)19-9-3-4-10-19/h1-2,5,8,14H,3-4,6-7,9-13H2,(H,18,21).
What are the key properties of N-(pyridin-2-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
N-(pyridin-2-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3237555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).