ethyl 5-[[6-(diethylamino)-3-pyridinyl]methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate

C28H32N6O4 — CID 123210340

IUPACethyl 5-[[6-(diethylamino)-3-pyridinyl]methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1c(NCc2ccc(N(CC)CC)nc2)c2c(C)ncnc2n(OCc2ccccc2)c1=O
InChIInChI=1S/C28H32N6O4/c1-5-33(6-2)22-14-13-21(15-29-22)16-30-25-23-19(4)31-18-32-26(23)34(27(35)24(25)28(36)37-7-3)38-17-20-11-9-8-10-12-20/h8-15,18,30H,5-7,16-17H2,1-4H3
InChIKeyDLASINNTSMAHTR-UHFFFAOYSA-N
MW516.60 g/mol
LogP3.76
Rot. Bonds11

About ethyl 5-[[6-(diethylamino)-3-pyridinyl]methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate

ethyl 5-[[6-(diethylamino)-3-pyridinyl]methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 123210340) has the molecular formula C28H32N6O4 and a molecular weight of 516.60 g/mol. Its IUPAC name is ethyl 5-[[6-(diethylamino)-3-pyridinyl]methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[6-(diethylamino)-3-pyridinyl]methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID123210340
Molecular FormulaC28H32N6O4
Molecular Weight516.60 g/mol
Exact Mass516.25
IUPAC Nameethyl 5-[[6-(diethylamino)-3-pyridinyl]methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1c(NCc2ccc(N(CC)CC)nc2)c2c(C)ncnc2n(OCc2ccccc2)c1=O
InChIInChI=1S/C28H32N6O4/c1-5-33(6-2)22-14-13-21(15-29-22)16-30-25-23-19(4)31-18-32-26(23)34(27(35)24(25)28(36)37-7-3)38-17-20-11-9-8-10-12-20/h8-15,18,30H,5-7,16-17H2,1-4H3
InChIKeyDLASINNTSMAHTR-UHFFFAOYSA-N
XLogP3.76
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.60
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze ethyl 5-[[6-(diethylamino)-3-pyridinyl]methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate with MolForge

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Launch Full Analysis

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-(benzylamino)-7-oxo-4-phenyl-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate
CID 140663990
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 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
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
ethyl 7-oxo-4-phenyl-8-phenylmethoxy-5-(trifluoromethylsulfonyloxy)pyrido[2,3-d]pyrimidine-6-carboxylate
CID 123461348
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-(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
5-hydroxy-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;(4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidin-5-yl) trifluoromethanesulfonate;4-methyl-8-phenylmethoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one
CID 159102710

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[6-(diethylamino)-3-pyridinyl]methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-[[6-(diethylamino)-3-pyridinyl]methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate (CID 123210340) is ethyl 5-[[6-(diethylamino)-3-pyridinyl]methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-[[6-(diethylamino)-3-pyridinyl]methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-[[6-(diethylamino)-3-pyridinyl]methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1c(NCc2ccc(N(CC)CC)nc2)c2c(C)ncnc2n(OCc2ccccc2)c1=O.
What is the InChIKey of ethyl 5-[[6-(diethylamino)-3-pyridinyl]methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is DLASINNTSMAHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O4/c1-5-33(6-2)22-14-13-21(15-29-22)16-30-25-23-19(4)31-18-32-26(23)34(27(35)24(25)28(36)37-7-3)38-17-20-11-9-8-10-12-20/h8-15,18,30H,5-7,16-17H2,1-4H3.
What are the key properties of ethyl 5-[[6-(diethylamino)-3-pyridinyl]methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate?
ethyl 5-[[6-(diethylamino)-3-pyridinyl]methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 516.60 g/mol, XLogP of 3.76, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[6-(diethylamino)-3-pyridinyl]methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 123210340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).