2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-methoxyphenyl)-2-phenylacetamide

C23H24N4O3 — CID 86876960

IUPAC2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-methoxyphenyl)-2-phenylacetamide
SMILESCOc1cccc(NC(=O)C(c2ccccc2)N2CCc3ncnc(OC)c3C2)c1
InChIInChI=1S/C23H24N4O3/c1-29-18-10-6-9-17(13-18)26-22(28)21(16-7-4-3-5-8-16)27-12-11-20-19(14-27)23(30-2)25-15-24-20/h3-10,13,15,21H,11-12,14H2,1-2H3,(H,26,28)
InChIKeyYGQHVFPLMHKBMA-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.23
Rot. Bonds6

About 2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-methoxyphenyl)-2-phenylacetamide

2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-methoxyphenyl)-2-phenylacetamide (PubChem CID 86876960) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-methoxyphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-methoxyphenyl)-2-phenylacetamide
PubChem CID86876960
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-methoxyphenyl)-2-phenylacetamide
SMILESCOc1cccc(NC(=O)C(c2ccccc2)N2CCc3ncnc(OC)c3C2)c1
InChIInChI=1S/C23H24N4O3/c1-29-18-10-6-9-17(13-18)26-22(28)21(16-7-4-3-5-8-16)27-12-11-20-19(14-27)23(30-2)25-15-24-20/h3-10,13,15,21H,11-12,14H2,1-2H3,(H,26,28)
InChIKeyYGQHVFPLMHKBMA-UHFFFAOYSA-N
XLogP3.23
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-methoxyphenyl)-2-phenylacetamide?
The IUPAC name of 2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-methoxyphenyl)-2-phenylacetamide (CID 86876960) is 2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-methoxyphenyl)-2-phenylacetamide.
What is the SMILES notation for 2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-methoxyphenyl)-2-phenylacetamide?
The canonical SMILES for 2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-methoxyphenyl)-2-phenylacetamide is COc1cccc(NC(=O)C(c2ccccc2)N2CCc3ncnc(OC)c3C2)c1.
What is the InChIKey of 2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-methoxyphenyl)-2-phenylacetamide?
The InChIKey is YGQHVFPLMHKBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-29-18-10-6-9-17(13-18)26-22(28)21(16-7-4-3-5-8-16)27-12-11-20-19(14-27)23(30-2)25-15-24-20/h3-10,13,15,21H,11-12,14H2,1-2H3,(H,26,28).
What are the key properties of 2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-methoxyphenyl)-2-phenylacetamide?
2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-methoxyphenyl)-2-phenylacetamide has a molecular weight of 404.47 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-methoxyphenyl)-2-phenylacetamide is sourced from PubChem (CID 86876960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).