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

C32H34FN7O5S — CID 42605632

IUPAC5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide
SMILESCc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1CN1CCC(N(C(=O)Nc2ccc(C(N)=O)nc2)c2cccc(F)c2)CC1
InChIInChI=1S/C32H34FN7O5S/c1-21-22(6-13-30(36-21)45-28-10-7-24(8-11-28)38-46(2,43)44)20-39-16-14-26(15-17-39)40(27-5-3-4-23(33)18-27)32(42)37-25-9-12-29(31(34)41)35-19-25/h3-13,18-19,26,38H,14-17,20H2,1-2H3,(H2,34,41)(H,37,42)
InChIKeyVWOGNHRJPYAPIX-UHFFFAOYSA-N
MW647.73 g/mol
LogP4.89
Rot. Bonds10

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

5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide (PubChem CID 42605632) has the molecular formula C32H34FN7O5S and a molecular weight of 647.73 g/mol. Its IUPAC name is 5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide
PubChem CID42605632
Molecular FormulaC32H34FN7O5S
Molecular Weight647.73 g/mol
Exact Mass647.23
IUPAC Name5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide
SMILESCc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1CN1CCC(N(C(=O)Nc2ccc(C(N)=O)nc2)c2cccc(F)c2)CC1
InChIInChI=1S/C32H34FN7O5S/c1-21-22(6-13-30(36-21)45-28-10-7-24(8-11-28)38-46(2,43)44)20-39-16-14-26(15-17-39)40(27-5-3-4-23(33)18-27)32(42)37-25-9-12-29(31(34)41)35-19-25/h3-13,18-19,26,38H,14-17,20H2,1-2H3,(H2,34,41)(H,37,42)
InChIKeyVWOGNHRJPYAPIX-UHFFFAOYSA-N
XLogP4.89
TPSA159.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500647.73
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide (CID 42605632) is 5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-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)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide is Cc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1CN1CCC(N(C(=O)Nc2ccc(C(N)=O)nc2)c2cccc(F)c2)CC1.
What is the InChIKey of 5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide?
The InChIKey is VWOGNHRJPYAPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN7O5S/c1-21-22(6-13-30(36-21)45-28-10-7-24(8-11-28)38-46(2,43)44)20-39-16-14-26(15-17-39)40(27-5-3-4-23(33)18-27)32(42)37-25-9-12-29(31(34)41)35-19-25/h3-13,18-19,26,38H,14-17,20H2,1-2H3,(H2,34,41)(H,37,42).
What are the key properties of 5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide?
5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide has a molecular weight of 647.73 g/mol, XLogP of 4.89, 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)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 42605632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).