6-(2,6-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one

C20H15Cl2N5O2 — CID 5327888

IUPAC6-(2,6-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cn1
InChIInChI=1S/C20H15Cl2N5O2/c1-27-18-11(8-13(19(27)28)17-14(21)4-3-5-15(17)22)9-24-20(26-18)25-12-6-7-16(29-2)23-10-12/h3-10H,1-2H3,(H,24,25,26)
InChIKeyNBPINIBREWXSRV-UHFFFAOYSA-N
MW428.28 g/mol
LogP4.45
Rot. Bonds4

About 6-(2,6-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one

6-(2,6-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5327888) has the molecular formula C20H15Cl2N5O2 and a molecular weight of 428.28 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5327888
Molecular FormulaC20H15Cl2N5O2
Molecular Weight428.28 g/mol
Exact Mass427.06
IUPAC Name6-(2,6-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cn1
InChIInChI=1S/C20H15Cl2N5O2/c1-27-18-11(8-13(19(27)28)17-14(21)4-3-5-15(17)22)9-24-20(26-18)25-12-6-7-16(29-2)23-10-12/h3-10H,1-2H3,(H,24,25,26)
InChIKeyNBPINIBREWXSRV-UHFFFAOYSA-N
XLogP4.45
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.28
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,6-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 5327888) is 6-(2,6-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one is COc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cn1.
What is the InChIKey of 6-(2,6-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NBPINIBREWXSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N5O2/c1-27-18-11(8-13(19(27)28)17-14(21)4-3-5-15(17)22)9-24-20(26-18)25-12-6-7-16(29-2)23-10-12/h3-10H,1-2H3,(H,24,25,26).
What are the key properties of 6-(2,6-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
6-(2,6-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 428.28 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5327888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).