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

C25H23Cl2N5O2 — CID 5328734

IUPAC4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1
InChIInChI=1S/C25H23Cl2N5O2/c1-4-32(5-2)23(33)15-9-11-17(12-10-15)29-25-28-14-16-13-18(24(34)31(3)22(16)30-25)21-19(26)7-6-8-20(21)27/h6-14H,4-5H2,1-3H3,(H,28,29,30)
InChIKeyWHPSRWXDXFWLHF-UHFFFAOYSA-N
MW496.40 g/mol
LogP5.53
Rot. Bonds6

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

4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N,N-diethylbenzamide (PubChem CID 5328734) has the molecular formula C25H23Cl2N5O2 and a molecular weight of 496.40 g/mol. Its IUPAC name is 4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N,N-diethylbenzamide
PubChem CID5328734
Molecular FormulaC25H23Cl2N5O2
Molecular Weight496.40 g/mol
Exact Mass495.12
IUPAC Name4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1
InChIInChI=1S/C25H23Cl2N5O2/c1-4-32(5-2)23(33)15-9-11-17(12-10-15)29-25-28-14-16-13-18(24(34)31(3)22(16)30-25)21-19(26)7-6-8-20(21)27/h6-14H,4-5H2,1-3H3,(H,28,29,30)
InChIKeyWHPSRWXDXFWLHF-UHFFFAOYSA-N
XLogP5.53
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.40
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N,N-diethylbenzamide (CID 5328734) is 4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1.
What is the InChIKey of 4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N,N-diethylbenzamide?
The InChIKey is WHPSRWXDXFWLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N5O2/c1-4-32(5-2)23(33)15-9-11-17(12-10-15)29-25-28-14-16-13-18(24(34)31(3)22(16)30-25)21-19(26)7-6-8-20(21)27/h6-14H,4-5H2,1-3H3,(H,28,29,30).
What are the key properties of 4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N,N-diethylbenzamide?
4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N,N-diethylbenzamide has a molecular weight of 496.40 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 5328734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).