N-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-(dimethylamino)benzamide

C23H19Cl2N5O — CID 15915122

IUPACN-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-(dimethylamino)benzamide
SMILESCc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)c3cccc(N(C)C)c3)nc2n1
InChIInChI=1S/C23H19Cl2N5O/c1-13-26-12-15-11-17(20-18(24)8-5-9-19(20)25)22(28-21(15)27-13)29-23(31)14-6-4-7-16(10-14)30(2)3/h4-12H,1-3H3,(H,26,27,28,29,31)
InChIKeyGYZUEVMYPVUJII-UHFFFAOYSA-N
MW452.35 g/mol
LogP5.63
Rot. Bonds4

About N-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-(dimethylamino)benzamide

N-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-(dimethylamino)benzamide (PubChem CID 15915122) has the molecular formula C23H19Cl2N5O and a molecular weight of 452.35 g/mol. Its IUPAC name is N-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-(dimethylamino)benzamide
PubChem CID15915122
Molecular FormulaC23H19Cl2N5O
Molecular Weight452.35 g/mol
Exact Mass451.10
IUPAC NameN-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-(dimethylamino)benzamide
SMILESCc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)c3cccc(N(C)C)c3)nc2n1
InChIInChI=1S/C23H19Cl2N5O/c1-13-26-12-15-11-17(20-18(24)8-5-9-19(20)25)22(28-21(15)27-13)29-23(31)14-6-4-7-16(10-14)30(2)3/h4-12H,1-3H3,(H,26,27,28,29,31)
InChIKeyGYZUEVMYPVUJII-UHFFFAOYSA-N
XLogP5.63
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.35
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-(dimethylamino)benzamide?
The IUPAC name of N-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-(dimethylamino)benzamide (CID 15915122) is N-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-(dimethylamino)benzamide.
What is the SMILES notation for N-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-(dimethylamino)benzamide?
The canonical SMILES for N-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-(dimethylamino)benzamide is Cc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)c3cccc(N(C)C)c3)nc2n1.
What is the InChIKey of N-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-(dimethylamino)benzamide?
The InChIKey is GYZUEVMYPVUJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N5O/c1-13-26-12-15-11-17(20-18(24)8-5-9-19(20)25)22(28-21(15)27-13)29-23(31)14-6-4-7-16(10-14)30(2)3/h4-12H,1-3H3,(H,26,27,28,29,31).
What are the key properties of N-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-(dimethylamino)benzamide?
N-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-(dimethylamino)benzamide has a molecular weight of 452.35 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-(dimethylamino)benzamide is sourced from PubChem (CID 15915122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).