N-[2-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenoxy]ethyl]-N-ethylacetamide

C26H25Cl2N5O3 — CID 5330526

IUPACN-[2-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenoxy]ethyl]-N-ethylacetamide
SMILESCCN(CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1)C(C)=O
InChIInChI=1S/C26H25Cl2N5O3/c1-4-33(16(2)34)12-13-36-19-10-8-18(9-11-19)30-26-29-15-17-14-20(25(35)32(3)24(17)31-26)23-21(27)6-5-7-22(23)28/h5-11,14-15H,4,12-13H2,1-3H3,(H,29,30,31)
InChIKeyZPDSBOKGPBKXNQ-UHFFFAOYSA-N
MW526.42 g/mol
LogP5.29
Rot. Bonds8

About N-[2-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenoxy]ethyl]-N-ethylacetamide

N-[2-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenoxy]ethyl]-N-ethylacetamide (PubChem CID 5330526) has the molecular formula C26H25Cl2N5O3 and a molecular weight of 526.42 g/mol. Its IUPAC name is N-[2-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenoxy]ethyl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[2-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenoxy]ethyl]-N-ethylacetamide
PubChem CID5330526
Molecular FormulaC26H25Cl2N5O3
Molecular Weight526.42 g/mol
Exact Mass525.13
IUPAC NameN-[2-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenoxy]ethyl]-N-ethylacetamide
SMILESCCN(CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1)C(C)=O
InChIInChI=1S/C26H25Cl2N5O3/c1-4-33(16(2)34)12-13-36-19-10-8-18(9-11-19)30-26-29-15-17-14-20(25(35)32(3)24(17)31-26)23-21(27)6-5-7-22(23)28/h5-11,14-15H,4,12-13H2,1-3H3,(H,29,30,31)
InChIKeyZPDSBOKGPBKXNQ-UHFFFAOYSA-N
XLogP5.29
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.42
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenoxy]ethyl]-N-ethylacetamide?
The IUPAC name of N-[2-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenoxy]ethyl]-N-ethylacetamide (CID 5330526) is N-[2-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenoxy]ethyl]-N-ethylacetamide.
What is the SMILES notation for N-[2-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenoxy]ethyl]-N-ethylacetamide?
The canonical SMILES for N-[2-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenoxy]ethyl]-N-ethylacetamide is CCN(CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1)C(C)=O.
What is the InChIKey of N-[2-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenoxy]ethyl]-N-ethylacetamide?
The InChIKey is ZPDSBOKGPBKXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N5O3/c1-4-33(16(2)34)12-13-36-19-10-8-18(9-11-19)30-26-29-15-17-14-20(25(35)32(3)24(17)31-26)23-21(27)6-5-7-22(23)28/h5-11,14-15H,4,12-13H2,1-3H3,(H,29,30,31).
What are the key properties of N-[2-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenoxy]ethyl]-N-ethylacetamide?
N-[2-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenoxy]ethyl]-N-ethylacetamide has a molecular weight of 526.42 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenoxy]ethyl]-N-ethylacetamide is sourced from PubChem (CID 5330526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).