N,N-diethyl-3-[(3-fluorophenyl)methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide

C21H23FN4O3 — CID 53096992

IUPACN,N-diethyl-3-[(3-fluorophenyl)methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cc(C)nc2c1c(=O)n(Cc1cccc(F)c1)c(=O)n2C
InChIInChI=1S/C21H23FN4O3/c1-5-25(6-2)19(27)16-10-13(3)23-18-17(16)20(28)26(21(29)24(18)4)12-14-8-7-9-15(22)11-14/h7-11H,5-6,12H2,1-4H3
InChIKeyAMUGRLRWCZIQSL-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.07
Rot. Bonds5

About N,N-diethyl-3-[(3-fluorophenyl)methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide

N,N-diethyl-3-[(3-fluorophenyl)methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 53096992) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is N,N-diethyl-3-[(3-fluorophenyl)methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(3-fluorophenyl)methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID53096992
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC NameN,N-diethyl-3-[(3-fluorophenyl)methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cc(C)nc2c1c(=O)n(Cc1cccc(F)c1)c(=O)n2C
InChIInChI=1S/C21H23FN4O3/c1-5-25(6-2)19(27)16-10-13(3)23-18-17(16)20(28)26(21(29)24(18)4)12-14-8-7-9-15(22)11-14/h7-11H,5-6,12H2,1-4H3
InChIKeyAMUGRLRWCZIQSL-UHFFFAOYSA-N
XLogP2.07
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(3-fluorophenyl)methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N,N-diethyl-3-[(3-fluorophenyl)methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide (CID 53096992) is N,N-diethyl-3-[(3-fluorophenyl)methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N,N-diethyl-3-[(3-fluorophenyl)methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N,N-diethyl-3-[(3-fluorophenyl)methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide is CCN(CC)C(=O)c1cc(C)nc2c1c(=O)n(Cc1cccc(F)c1)c(=O)n2C.
What is the InChIKey of N,N-diethyl-3-[(3-fluorophenyl)methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is AMUGRLRWCZIQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3/c1-5-25(6-2)19(27)16-10-13(3)23-18-17(16)20(28)26(21(29)24(18)4)12-14-8-7-9-15(22)11-14/h7-11H,5-6,12H2,1-4H3.
What are the key properties of N,N-diethyl-3-[(3-fluorophenyl)methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
N,N-diethyl-3-[(3-fluorophenyl)methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(3-fluorophenyl)methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 53096992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).