5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)-2-methylphenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide

C33H36FN7O5S — CID 57394634

IUPAC5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)-2-methylphenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide
SMILESCc1cc(NS(C)(=O)=O)ccc1Oc1ccc(CN2CCC(N(C(=O)Nc3ccc(C(N)=O)nc3)c3cccc(F)c3)CC2)c(C)n1
InChIInChI=1S/C33H36FN7O5S/c1-21-17-25(39-47(3,44)45)9-11-30(21)46-31-12-7-23(22(2)37-31)20-40-15-13-27(14-16-40)41(28-6-4-5-24(34)18-28)33(43)38-26-8-10-29(32(35)42)36-19-26/h4-12,17-19,27,39H,13-16,20H2,1-3H3,(H2,35,42)(H,38,43)
InChIKeyUNMDCYHNYHSQNY-UHFFFAOYSA-N
MW661.76 g/mol
LogP5.20
Rot. Bonds10

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

5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)-2-methylphenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide (PubChem CID 57394634) has the molecular formula C33H36FN7O5S and a molecular weight of 661.76 g/mol. Its IUPAC name is 5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)-2-methylphenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)-2-methylphenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide
PubChem CID57394634
Molecular FormulaC33H36FN7O5S
Molecular Weight661.76 g/mol
Exact Mass661.25
IUPAC Name5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)-2-methylphenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide
SMILESCc1cc(NS(C)(=O)=O)ccc1Oc1ccc(CN2CCC(N(C(=O)Nc3ccc(C(N)=O)nc3)c3cccc(F)c3)CC2)c(C)n1
InChIInChI=1S/C33H36FN7O5S/c1-21-17-25(39-47(3,44)45)9-11-30(21)46-31-12-7-23(22(2)37-31)20-40-15-13-27(14-16-40)41(28-6-4-5-24(34)18-28)33(43)38-26-8-10-29(32(35)42)36-19-26/h4-12,17-19,27,39H,13-16,20H2,1-3H3,(H2,35,42)(H,38,43)
InChIKeyUNMDCYHNYHSQNY-UHFFFAOYSA-N
XLogP5.20
TPSA159.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.76
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)-2-methylphenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]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-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)-2-methylphenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)-2-methylphenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide (CID 57394634) is 5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)-2-methylphenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)-2-methylphenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)-2-methylphenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide is Cc1cc(NS(C)(=O)=O)ccc1Oc1ccc(CN2CCC(N(C(=O)Nc3ccc(C(N)=O)nc3)c3cccc(F)c3)CC2)c(C)n1.
What is the InChIKey of 5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)-2-methylphenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide?
The InChIKey is UNMDCYHNYHSQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36FN7O5S/c1-21-17-25(39-47(3,44)45)9-11-30(21)46-31-12-7-23(22(2)37-31)20-40-15-13-27(14-16-40)41(28-6-4-5-24(34)18-28)33(43)38-26-8-10-29(32(35)42)36-19-26/h4-12,17-19,27,39H,13-16,20H2,1-3H3,(H2,35,42)(H,38,43).
What are the key properties of 5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)-2-methylphenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide?
5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)-2-methylphenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide has a molecular weight of 661.76 g/mol, XLogP of 5.20, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)-2-methylphenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 57394634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).