5-[[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-phenylcarbamoyl]amino]pyridine-2-carboxamide

C31H33N7O5S — CID 57396384

IUPAC5-[[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-phenylcarbamoyl]amino]pyridine-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc(Oc2ccc(CN3CCC(N(C(=O)Nc4ccc(C(N)=O)nc4)c4ccccc4)CC3)cn2)cc1
InChIInChI=1S/C31H33N7O5S/c1-44(41,42)36-23-8-11-27(12-9-23)43-29-14-7-22(19-34-29)21-37-17-15-26(16-18-37)38(25-5-3-2-4-6-25)31(40)35-24-10-13-28(30(32)39)33-20-24/h2-14,19-20,26,36H,15-18,21H2,1H3,(H2,32,39)(H,35,40)
InChIKeyQLMXRTDDSGFRPE-UHFFFAOYSA-N
MW615.72 g/mol
LogP4.44
Rot. Bonds10

About 5-[[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-phenylcarbamoyl]amino]pyridine-2-carboxamide

5-[[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-phenylcarbamoyl]amino]pyridine-2-carboxamide (PubChem CID 57396384) has the molecular formula C31H33N7O5S and a molecular weight of 615.72 g/mol. Its IUPAC name is 5-[[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-phenylcarbamoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-phenylcarbamoyl]amino]pyridine-2-carboxamide
PubChem CID57396384
Molecular FormulaC31H33N7O5S
Molecular Weight615.72 g/mol
Exact Mass615.23
IUPAC Name5-[[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-phenylcarbamoyl]amino]pyridine-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc(Oc2ccc(CN3CCC(N(C(=O)Nc4ccc(C(N)=O)nc4)c4ccccc4)CC3)cn2)cc1
InChIInChI=1S/C31H33N7O5S/c1-44(41,42)36-23-8-11-27(12-9-23)43-29-14-7-22(19-34-29)21-37-17-15-26(16-18-37)38(25-5-3-2-4-6-25)31(40)35-24-10-13-28(30(32)39)33-20-24/h2-14,19-20,26,36H,15-18,21H2,1H3,(H2,32,39)(H,35,40)
InChIKeyQLMXRTDDSGFRPE-UHFFFAOYSA-N
XLogP4.44
TPSA159.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500615.72
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-phenylcarbamoyl]amino]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-phenylcarbamoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-phenylcarbamoyl]amino]pyridine-2-carboxamide (CID 57396384) is 5-[[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-phenylcarbamoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-phenylcarbamoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-phenylcarbamoyl]amino]pyridine-2-carboxamide is CS(=O)(=O)Nc1ccc(Oc2ccc(CN3CCC(N(C(=O)Nc4ccc(C(N)=O)nc4)c4ccccc4)CC3)cn2)cc1.
What is the InChIKey of 5-[[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-phenylcarbamoyl]amino]pyridine-2-carboxamide?
The InChIKey is QLMXRTDDSGFRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N7O5S/c1-44(41,42)36-23-8-11-27(12-9-23)43-29-14-7-22(19-34-29)21-37-17-15-26(16-18-37)38(25-5-3-2-4-6-25)31(40)35-24-10-13-28(30(32)39)33-20-24/h2-14,19-20,26,36H,15-18,21H2,1H3,(H2,32,39)(H,35,40).
What are the key properties of 5-[[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-phenylcarbamoyl]amino]pyridine-2-carboxamide?
5-[[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-phenylcarbamoyl]amino]pyridine-2-carboxamide has a molecular weight of 615.72 g/mol, XLogP of 4.44, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-phenylcarbamoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 57396384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).