1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperidine-4-carboxamide

C19H23N5O4S — CID 66610946

IUPAC1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperidine-4-carboxamide
SMILESNC(=O)C1CCN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)CC1
InChIInChI=1S/C19H23N5O4S/c20-18(25)15-7-10-24(11-8-15)29(27,28)17-5-3-16(4-6-17)23-19(26)22-13-14-2-1-9-21-12-14/h1-6,9,12,15H,7-8,10-11,13H2,(H2,20,25)(H2,22,23,26)
InChIKeyPSWMKPMDNLMCBS-UHFFFAOYSA-N
MW417.49 g/mol
LogP1.29
Rot. Bonds6

About 1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperidine-4-carboxamide

1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 66610946) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is 1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID66610946
Molecular FormulaC19H23N5O4S
Molecular Weight417.49 g/mol
Exact Mass417.15
IUPAC Name1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperidine-4-carboxamide
SMILESNC(=O)C1CCN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)CC1
InChIInChI=1S/C19H23N5O4S/c20-18(25)15-7-10-24(11-8-15)29(27,28)17-5-3-16(4-6-17)23-19(26)22-13-14-2-1-9-21-12-14/h1-6,9,12,15H,7-8,10-11,13H2,(H2,20,25)(H2,22,23,26)
InChIKeyPSWMKPMDNLMCBS-UHFFFAOYSA-N
XLogP1.29
TPSA134.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperidine-4-carboxamide (CID 66610946) is 1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperidine-4-carboxamide is NC(=O)C1CCN(S(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)CC1.
What is the InChIKey of 1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is PSWMKPMDNLMCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S/c20-18(25)15-7-10-24(11-8-15)29(27,28)17-5-3-16(4-6-17)23-19(26)22-13-14-2-1-9-21-12-14/h1-6,9,12,15H,7-8,10-11,13H2,(H2,20,25)(H2,22,23,26).
What are the key properties of 1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperidine-4-carboxamide?
1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 66610946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).