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

C33H36FN7O5S — CID 54753984

IUPAC5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]-6-methylpyridine-2-carboxamide
SMILESCc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1CN1CCC(N(C(=O)Nc2ccc(C(N)=O)nc2C)c2cccc(F)c2)CC1
InChIInChI=1S/C33H36FN7O5S/c1-21-23(7-14-31(37-21)46-28-10-8-25(9-11-28)39-47(3,44)45)20-40-17-15-26(16-18-40)41(27-6-4-5-24(34)19-27)33(43)38-29-12-13-30(32(35)42)36-22(29)2/h4-14,19,26,39H,15-18,20H2,1-3H3,(H2,35,42)(H,38,43)
InChIKeyLVTIZLQTCNISDX-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]-6-methylpyridine-2-carboxamide

5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]-6-methylpyridine-2-carboxamide (PubChem CID 54753984) 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]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]-6-methylpyridine-2-carboxamide
PubChem CID54753984
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]-6-methylpyridine-2-carboxamide
SMILESCc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1CN1CCC(N(C(=O)Nc2ccc(C(N)=O)nc2C)c2cccc(F)c2)CC1
InChIInChI=1S/C33H36FN7O5S/c1-21-23(7-14-31(37-21)46-28-10-8-25(9-11-28)39-47(3,44)45)20-40-17-15-26(16-18-40)41(27-6-4-5-24(34)19-27)33(43)38-29-12-13-30(32(35)42)36-22(29)2/h4-14,19,26,39H,15-18,20H2,1-3H3,(H2,35,42)(H,38,43)
InChIKeyLVTIZLQTCNISDX-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]-6-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]-6-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]-6-methylpyridine-2-carboxamide (CID 54753984) is 5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]-6-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]-6-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]-6-methylpyridine-2-carboxamide is Cc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1CN1CCC(N(C(=O)Nc2ccc(C(N)=O)nc2C)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]-6-methylpyridine-2-carboxamide?
The InChIKey is LVTIZLQTCNISDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36FN7O5S/c1-21-23(7-14-31(37-21)46-28-10-8-25(9-11-28)39-47(3,44)45)20-40-17-15-26(16-18-40)41(27-6-4-5-24(34)19-27)33(43)38-29-12-13-30(32(35)42)36-22(29)2/h4-14,19,26,39H,15-18,20H2,1-3H3,(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]-6-methylpyridine-2-carboxamide?
5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]-6-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]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 54753984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).