N-butan-2-yl-3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide

C34H40F2N6O2 — CID 11947898

IUPACN-butan-2-yl-3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide
SMILESCCC(C)NC(=O)c1ccc(C)c(-c2nc(NC3CC(C)(C)NC(C)(C)C3)nc3c2ccc(=O)n3-c2c(F)cccc2F)c1
InChIInChI=1S/C34H40F2N6O2/c1-8-20(3)37-31(44)21-13-12-19(2)24(16-21)28-23-14-15-27(43)42(29-25(35)10-9-11-26(29)36)30(23)40-32(39-28)38-22-17-33(4,5)41-34(6,7)18-22/h9-16,20,22,41H,8,17-18H2,1-7H3,(H,37,44)(H,38,39,40)
InChIKeyPEIUWMVMZRQBOQ-UHFFFAOYSA-N
MW602.73 g/mol
LogP6.28
Rot. Bonds7

About N-butan-2-yl-3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide

N-butan-2-yl-3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide (PubChem CID 11947898) has the molecular formula C34H40F2N6O2 and a molecular weight of 602.73 g/mol. Its IUPAC name is N-butan-2-yl-3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide
PubChem CID11947898
Molecular FormulaC34H40F2N6O2
Molecular Weight602.73 g/mol
Exact Mass602.32
IUPAC NameN-butan-2-yl-3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide
SMILESCCC(C)NC(=O)c1ccc(C)c(-c2nc(NC3CC(C)(C)NC(C)(C)C3)nc3c2ccc(=O)n3-c2c(F)cccc2F)c1
InChIInChI=1S/C34H40F2N6O2/c1-8-20(3)37-31(44)21-13-12-19(2)24(16-21)28-23-14-15-27(43)42(29-25(35)10-9-11-26(29)36)30(23)40-32(39-28)38-22-17-33(4,5)41-34(6,7)18-22/h9-16,20,22,41H,8,17-18H2,1-7H3,(H,37,44)(H,38,39,40)
InChIKeyPEIUWMVMZRQBOQ-UHFFFAOYSA-N
XLogP6.28
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.73
LogP ≤ 56.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide?
The IUPAC name of N-butan-2-yl-3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide (CID 11947898) is N-butan-2-yl-3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-butan-2-yl-3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide?
The canonical SMILES for N-butan-2-yl-3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide is CCC(C)NC(=O)c1ccc(C)c(-c2nc(NC3CC(C)(C)NC(C)(C)C3)nc3c2ccc(=O)n3-c2c(F)cccc2F)c1.
What is the InChIKey of N-butan-2-yl-3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide?
The InChIKey is PEIUWMVMZRQBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40F2N6O2/c1-8-20(3)37-31(44)21-13-12-19(2)24(16-21)28-23-14-15-27(43)42(29-25(35)10-9-11-26(29)36)30(23)40-32(39-28)38-22-17-33(4,5)41-34(6,7)18-22/h9-16,20,22,41H,8,17-18H2,1-7H3,(H,37,44)(H,38,39,40).
What are the key properties of N-butan-2-yl-3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide?
N-butan-2-yl-3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide has a molecular weight of 602.73 g/mol, XLogP of 6.28, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide is sourced from PubChem (CID 11947898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).