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

C33H36FN7O5S — CID 54753799

IUPAC5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]-3-methylpyridine-2-carboxamide
SMILESCc1cc(NC(=O)N(c2cccc(F)c2)C2CCN(Cc3ccc(Oc4ccc(NS(C)(=O)=O)cc4)nc3C)CC2)cnc1C(N)=O
InChIInChI=1S/C33H36FN7O5S/c1-21-17-26(19-36-31(21)32(35)42)38-33(43)41(28-6-4-5-24(34)18-28)27-13-15-40(16-14-27)20-23-7-12-30(37-22(23)2)46-29-10-8-25(9-11-29)39-47(3,44)45/h4-12,17-19,27,39H,13-16,20H2,1-3H3,(H2,35,42)(H,38,43)
InChIKeyNILDQHLXZPEZHS-UHFFFAOYSA-N
MW661.76 g/mol
LogP5.20
Rot. Bonds10

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

5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]-3-methylpyridine-2-carboxamide (PubChem CID 54753799) 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)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]-3-methylpyridine-2-carboxamide
PubChem CID54753799
Molecular FormulaC33H36FN7O5S
Molecular Weight661.76 g/mol
Exact Mass661.25
IUPAC Name5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]-3-methylpyridine-2-carboxamide
SMILESCc1cc(NC(=O)N(c2cccc(F)c2)C2CCN(Cc3ccc(Oc4ccc(NS(C)(=O)=O)cc4)nc3C)CC2)cnc1C(N)=O
InChIInChI=1S/C33H36FN7O5S/c1-21-17-26(19-36-31(21)32(35)42)38-33(43)41(28-6-4-5-24(34)18-28)27-13-15-40(16-14-27)20-23-7-12-30(37-22(23)2)46-29-10-8-25(9-11-29)39-47(3,44)45/h4-12,17-19,27,39H,13-16,20H2,1-3H3,(H2,35,42)(H,38,43)
InChIKeyNILDQHLXZPEZHS-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)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]-3-methylpyridine-2-carboxamide with MolForge

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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]-3-methylpyridine-2-carboxamide?
The IUPAC name of 5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]-3-methylpyridine-2-carboxamide (CID 54753799) is 5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]-3-methylpyridine-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]-3-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]-3-methylpyridine-2-carboxamide is Cc1cc(NC(=O)N(c2cccc(F)c2)C2CCN(Cc3ccc(Oc4ccc(NS(C)(=O)=O)cc4)nc3C)CC2)cnc1C(N)=O.
What is the InChIKey of 5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]-3-methylpyridine-2-carboxamide?
The InChIKey is NILDQHLXZPEZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36FN7O5S/c1-21-17-26(19-36-31(21)32(35)42)38-33(43)41(28-6-4-5-24(34)18-28)27-13-15-40(16-14-27)20-23-7-12-30(37-22(23)2)46-29-10-8-25(9-11-29)39-47(3,44)45/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)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]-3-methylpyridine-2-carboxamide?
5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]-3-methylpyridine-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)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 54753799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).