1-pyridin-3-ylsulfonyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide

C20H25N5O3S — CID 38882424

IUPAC1-pyridin-3-ylsulfonyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)nc1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C20H25N5O3S/c26-20(23-17-5-6-19(22-14-17)24-10-1-2-11-24)16-7-12-25(13-8-16)29(27,28)18-4-3-9-21-15-18/h3-6,9,14-16H,1-2,7-8,10-13H2,(H,23,26)
InChIKeyYACDDIFKRKJQIX-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.12
Rot. Bonds5

About 1-pyridin-3-ylsulfonyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide

1-pyridin-3-ylsulfonyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide (PubChem CID 38882424) has the molecular formula C20H25N5O3S and a molecular weight of 415.52 g/mol. Its IUPAC name is 1-pyridin-3-ylsulfonyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-pyridin-3-ylsulfonyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide
PubChem CID38882424
Molecular FormulaC20H25N5O3S
Molecular Weight415.52 g/mol
Exact Mass415.17
IUPAC Name1-pyridin-3-ylsulfonyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)nc1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C20H25N5O3S/c26-20(23-17-5-6-19(22-14-17)24-10-1-2-11-24)16-7-12-25(13-8-16)29(27,28)18-4-3-9-21-15-18/h3-6,9,14-16H,1-2,7-8,10-13H2,(H,23,26)
InChIKeyYACDDIFKRKJQIX-UHFFFAOYSA-N
XLogP2.12
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-piperidin-1-ylsulfonylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55603379
N-(4-morpholin-4-ylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30885894
N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 40637703
N-(4-methylsulfanylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46602451
N-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 4137817
N-[4-(cyanomethyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30894570
N-(3-chloro-4-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 5309136
N-(3-nitrophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 39887346
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
1-pyridin-3-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 20851608
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-pyridin-3-ylpiperidine-4-carboxamide
CID 30859604
N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55819342

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylsulfonyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-pyridin-3-ylsulfonyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide (CID 38882424) is 1-pyridin-3-ylsulfonyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-pyridin-3-ylsulfonyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-pyridin-3-ylsulfonyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide is O=C(Nc1ccc(N2CCCC2)nc1)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of 1-pyridin-3-ylsulfonyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide?
The InChIKey is YACDDIFKRKJQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3S/c26-20(23-17-5-6-19(22-14-17)24-10-1-2-11-24)16-7-12-25(13-8-16)29(27,28)18-4-3-9-21-15-18/h3-6,9,14-16H,1-2,7-8,10-13H2,(H,23,26).
What are the key properties of 1-pyridin-3-ylsulfonyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide?
1-pyridin-3-ylsulfonyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylsulfonyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 38882424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).