2-[6-[1-(cyclobutylmethyl)piperidin-4-yl]oxy-4-oxo-2-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide

C29H34F3N5O3 — CID 25217348

IUPAC2-[6-[1-(cyclobutylmethyl)piperidin-4-yl]oxy-4-oxo-2-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(-c2cccc(C(F)(F)F)c2)nc2ncc(OC3CCN(CC4CCC4)CC3)cc2c1=O
InChIInChI=1S/C29H34F3N5O3/c1-18(2)34-25(38)17-37-27(20-7-4-8-21(13-20)29(30,31)32)35-26-24(28(37)39)14-23(15-33-26)40-22-9-11-36(12-10-22)16-19-5-3-6-19/h4,7-8,13-15,18-19,22H,3,5-6,9-12,16-17H2,1-2H3,(H,34,38)
InChIKeyBRCLGYAAJBRAKS-UHFFFAOYSA-N
MW557.62 g/mol
LogP4.65
Rot. Bonds8

About 2-[6-[1-(cyclobutylmethyl)piperidin-4-yl]oxy-4-oxo-2-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide

2-[6-[1-(cyclobutylmethyl)piperidin-4-yl]oxy-4-oxo-2-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide (PubChem CID 25217348) has the molecular formula C29H34F3N5O3 and a molecular weight of 557.62 g/mol. Its IUPAC name is 2-[6-[1-(cyclobutylmethyl)piperidin-4-yl]oxy-4-oxo-2-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[6-[1-(cyclobutylmethyl)piperidin-4-yl]oxy-4-oxo-2-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
PubChem CID25217348
Molecular FormulaC29H34F3N5O3
Molecular Weight557.62 g/mol
Exact Mass557.26
IUPAC Name2-[6-[1-(cyclobutylmethyl)piperidin-4-yl]oxy-4-oxo-2-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(-c2cccc(C(F)(F)F)c2)nc2ncc(OC3CCN(CC4CCC4)CC3)cc2c1=O
InChIInChI=1S/C29H34F3N5O3/c1-18(2)34-25(38)17-37-27(20-7-4-8-21(13-20)29(30,31)32)35-26-24(28(37)39)14-23(15-33-26)40-22-9-11-36(12-10-22)16-19-5-3-6-19/h4,7-8,13-15,18-19,22H,3,5-6,9-12,16-17H2,1-2H3,(H,34,38)
InChIKeyBRCLGYAAJBRAKS-UHFFFAOYSA-N
XLogP4.65
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.62
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[6-[1-(cyclobutylmethyl)piperidin-4-yl]oxy-4-oxo-2-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[1-(cyclobutylmethyl)piperidin-4-yl]oxy-4-oxo-2-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[6-[1-(cyclobutylmethyl)piperidin-4-yl]oxy-4-oxo-2-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide (CID 25217348) is 2-[6-[1-(cyclobutylmethyl)piperidin-4-yl]oxy-4-oxo-2-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[6-[1-(cyclobutylmethyl)piperidin-4-yl]oxy-4-oxo-2-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[6-[1-(cyclobutylmethyl)piperidin-4-yl]oxy-4-oxo-2-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1c(-c2cccc(C(F)(F)F)c2)nc2ncc(OC3CCN(CC4CCC4)CC3)cc2c1=O.
What is the InChIKey of 2-[6-[1-(cyclobutylmethyl)piperidin-4-yl]oxy-4-oxo-2-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide?
The InChIKey is BRCLGYAAJBRAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F3N5O3/c1-18(2)34-25(38)17-37-27(20-7-4-8-21(13-20)29(30,31)32)35-26-24(28(37)39)14-23(15-33-26)40-22-9-11-36(12-10-22)16-19-5-3-6-19/h4,7-8,13-15,18-19,22H,3,5-6,9-12,16-17H2,1-2H3,(H,34,38).
What are the key properties of 2-[6-[1-(cyclobutylmethyl)piperidin-4-yl]oxy-4-oxo-2-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide?
2-[6-[1-(cyclobutylmethyl)piperidin-4-yl]oxy-4-oxo-2-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide has a molecular weight of 557.62 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[1-(cyclobutylmethyl)piperidin-4-yl]oxy-4-oxo-2-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 25217348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).