ethyl 5-(benzylamino)-7-oxo-4-phenyl-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate

C30H26N4O4 — CID 140663990

IUPACethyl 5-(benzylamino)-7-oxo-4-phenyl-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1c(NCc2ccccc2)c2c(-c3ccccc3)ncnc2n(OCc2ccccc2)c1=O
InChIInChI=1S/C30H26N4O4/c1-2-37-30(36)25-27(31-18-21-12-6-3-7-13-21)24-26(23-16-10-5-11-17-23)32-20-33-28(24)34(29(25)35)38-19-22-14-8-4-9-15-22/h3-17,20,31H,2,18-19H2,1H3
InChIKeyYLZBOKCZBPLVMG-UHFFFAOYSA-N
MW506.56 g/mol
LogP4.88
Rot. Bonds9

About ethyl 5-(benzylamino)-7-oxo-4-phenyl-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate

ethyl 5-(benzylamino)-7-oxo-4-phenyl-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 140663990) has the molecular formula C30H26N4O4 and a molecular weight of 506.56 g/mol. Its IUPAC name is ethyl 5-(benzylamino)-7-oxo-4-phenyl-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-(benzylamino)-7-oxo-4-phenyl-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID140663990
Molecular FormulaC30H26N4O4
Molecular Weight506.56 g/mol
Exact Mass506.20
IUPAC Nameethyl 5-(benzylamino)-7-oxo-4-phenyl-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1c(NCc2ccccc2)c2c(-c3ccccc3)ncnc2n(OCc2ccccc2)c1=O
InChIInChI=1S/C30H26N4O4/c1-2-37-30(36)25-27(31-18-21-12-6-3-7-13-21)24-26(23-16-10-5-11-17-23)32-20-33-28(24)34(29(25)35)38-19-22-14-8-4-9-15-22/h3-17,20,31H,2,18-19H2,1H3
InChIKeyYLZBOKCZBPLVMG-UHFFFAOYSA-N
XLogP4.88
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.56
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 5-[(4-chlorophenyl)methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate
CID 123252740
ethyl 4-methyl-7-oxo-8-phenylmethoxy-5-(pyridin-2-ylmethylamino)pyrido[2,3-d]pyrimidine-6-carboxylate
CID 140663987
ethyl 5-[[6-(diethylamino)-3-pyridinyl]methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate
CID 123210340
ethyl 7-oxo-4-phenyl-8-phenylmethoxy-5-(trifluoromethylsulfonyloxy)pyrido[2,3-d]pyrimidine-6-carboxylate
CID 123461348
ethyl 4-methyl-7-oxo-8-phenylmethoxy-5-(3-pyridin-3-ylpropylamino)pyrido[2,3-d]pyrimidine-6-carboxylate
CID 123646672
5-[(4-acetamidophenyl)methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 150571263
ethyl 2-amino-5-[(4-methoxyphenyl)methylamino]-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate
CID 140663998
ethyl 4-(benzylamino)-8-hydroxy-7-oxopyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-(benzylamino)-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate
CID 158099982
ethyl 5-[(2-fluorophenyl)methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 5-hydroxy-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-methyl-7-oxo-8-phenylmethoxy-5-(trifluoromethylsulfonyloxy)pyrido[2,3-d]pyrimidine-6-carboxylate;5-[(2-fluorophenyl)methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one
CID 160780162
5-anilino-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;ethyl 5-anilino-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate
CID 158308776
ethyl 4-methyl-6-phenylpyrimidine-5-carboxylate
CID 135045794
ethyl 5-hydroxy-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-methyl-5-[(2-methylphenyl)methylamino]-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-methyl-7-oxo-8-phenylmethoxy-5-(trifluoromethylsulfonyloxy)pyrido[2,3-d]pyrimidine-6-carboxylate;4-methyl-8-phenylmethoxy-5-[[2-(trifluoromethoxy)phenyl]methylamino]pyrido[2,3-d]pyrimidin-7-one
CID 160968510

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(benzylamino)-7-oxo-4-phenyl-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-(benzylamino)-7-oxo-4-phenyl-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate (CID 140663990) is ethyl 5-(benzylamino)-7-oxo-4-phenyl-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-(benzylamino)-7-oxo-4-phenyl-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-(benzylamino)-7-oxo-4-phenyl-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1c(NCc2ccccc2)c2c(-c3ccccc3)ncnc2n(OCc2ccccc2)c1=O.
What is the InChIKey of ethyl 5-(benzylamino)-7-oxo-4-phenyl-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is YLZBOKCZBPLVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O4/c1-2-37-30(36)25-27(31-18-21-12-6-3-7-13-21)24-26(23-16-10-5-11-17-23)32-20-33-28(24)34(29(25)35)38-19-22-14-8-4-9-15-22/h3-17,20,31H,2,18-19H2,1H3.
What are the key properties of ethyl 5-(benzylamino)-7-oxo-4-phenyl-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate?
ethyl 5-(benzylamino)-7-oxo-4-phenyl-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 506.56 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(benzylamino)-7-oxo-4-phenyl-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 140663990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).