methyl 2-[2-oxo-3-(1-pyridin-4-ylethyl)-4H-pyrido[2,3-d]pyrimidin-1-yl]benzoate

C22H20N4O3 — CID 67862380

IUPACmethyl 2-[2-oxo-3-(1-pyridin-4-ylethyl)-4H-pyrido[2,3-d]pyrimidin-1-yl]benzoate
SMILESCOC(=O)c1ccccc1N1C(=O)N(C(C)c2ccncc2)Cc2cccnc21
InChIInChI=1S/C22H20N4O3/c1-15(16-9-12-23-13-10-16)25-14-17-6-5-11-24-20(17)26(22(25)28)19-8-4-3-7-18(19)21(27)29-2/h3-13,15H,14H2,1-2H3
InChIKeyABSJXTNJYMMIPT-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.10
Rot. Bonds4

About methyl 2-[2-oxo-3-(1-pyridin-4-ylethyl)-4H-pyrido[2,3-d]pyrimidin-1-yl]benzoate

methyl 2-[2-oxo-3-(1-pyridin-4-ylethyl)-4H-pyrido[2,3-d]pyrimidin-1-yl]benzoate (PubChem CID 67862380) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is methyl 2-[2-oxo-3-(1-pyridin-4-ylethyl)-4H-pyrido[2,3-d]pyrimidin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-oxo-3-(1-pyridin-4-ylethyl)-4H-pyrido[2,3-d]pyrimidin-1-yl]benzoate
PubChem CID67862380
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Namemethyl 2-[2-oxo-3-(1-pyridin-4-ylethyl)-4H-pyrido[2,3-d]pyrimidin-1-yl]benzoate
SMILESCOC(=O)c1ccccc1N1C(=O)N(C(C)c2ccncc2)Cc2cccnc21
InChIInChI=1S/C22H20N4O3/c1-15(16-9-12-23-13-10-16)25-14-17-6-5-11-24-20(17)26(22(25)28)19-8-4-3-7-18(19)21(27)29-2/h3-13,15H,14H2,1-2H3
InChIKeyABSJXTNJYMMIPT-UHFFFAOYSA-N
XLogP4.10
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-oxo-3-(1-pyridin-4-ylethyl)-4H-pyrido[2,3-d]pyrimidin-1-yl]benzoate?
The IUPAC name of methyl 2-[2-oxo-3-(1-pyridin-4-ylethyl)-4H-pyrido[2,3-d]pyrimidin-1-yl]benzoate (CID 67862380) is methyl 2-[2-oxo-3-(1-pyridin-4-ylethyl)-4H-pyrido[2,3-d]pyrimidin-1-yl]benzoate.
What is the SMILES notation for methyl 2-[2-oxo-3-(1-pyridin-4-ylethyl)-4H-pyrido[2,3-d]pyrimidin-1-yl]benzoate?
The canonical SMILES for methyl 2-[2-oxo-3-(1-pyridin-4-ylethyl)-4H-pyrido[2,3-d]pyrimidin-1-yl]benzoate is COC(=O)c1ccccc1N1C(=O)N(C(C)c2ccncc2)Cc2cccnc21.
What is the InChIKey of methyl 2-[2-oxo-3-(1-pyridin-4-ylethyl)-4H-pyrido[2,3-d]pyrimidin-1-yl]benzoate?
The InChIKey is ABSJXTNJYMMIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-15(16-9-12-23-13-10-16)25-14-17-6-5-11-24-20(17)26(22(25)28)19-8-4-3-7-18(19)21(27)29-2/h3-13,15H,14H2,1-2H3.
What are the key properties of methyl 2-[2-oxo-3-(1-pyridin-4-ylethyl)-4H-pyrido[2,3-d]pyrimidin-1-yl]benzoate?
methyl 2-[2-oxo-3-(1-pyridin-4-ylethyl)-4H-pyrido[2,3-d]pyrimidin-1-yl]benzoate has a molecular weight of 388.43 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-oxo-3-(1-pyridin-4-ylethyl)-4H-pyrido[2,3-d]pyrimidin-1-yl]benzoate is sourced from PubChem (CID 67862380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).