1-ethyl-N-(2-fluoro-4-methylphenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide

C20H21FN4O3 — CID 39676348

IUPAC1-ethyl-N-(2-fluoro-4-methylphenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(C)cc3F)cc(C(C)C)nc21
InChIInChI=1S/C20H21FN4O3/c1-5-25-17-16(19(27)24-20(25)28)12(9-15(22-17)10(2)3)18(26)23-14-7-6-11(4)8-13(14)21/h6-10H,5H2,1-4H3,(H,23,26)(H,24,27,28)
InChIKeyMKOYCELRDZTTOE-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.93
Rot. Bonds4

About 1-ethyl-N-(2-fluoro-4-methylphenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide

1-ethyl-N-(2-fluoro-4-methylphenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 39676348) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 1-ethyl-N-(2-fluoro-4-methylphenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2-fluoro-4-methylphenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID39676348
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name1-ethyl-N-(2-fluoro-4-methylphenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(C)cc3F)cc(C(C)C)nc21
InChIInChI=1S/C20H21FN4O3/c1-5-25-17-16(19(27)24-20(25)28)12(9-15(22-17)10(2)3)18(26)23-14-7-6-11(4)8-13(14)21/h6-10H,5H2,1-4H3,(H,23,26)(H,24,27,28)
InChIKeyMKOYCELRDZTTOE-UHFFFAOYSA-N
XLogP2.93
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-N-(2-fluoro-4-methylphenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

1-ethyl-N-(5-fluoro-2-methylphenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39297586
N-(3,4-difluorophenyl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39297501
1-ethyl-N-(3-fluorophenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39267249
1-ethyl-N-[4-(methylcarbamoylamino)phenyl]-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55581069
N-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39676176
N-(3-bromophenyl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39266984
1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylic acid
CID 18802061
N-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39298724
1-ethyl-N-(4-methylpentyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 33077897
1-(2-methylpropyl)-2,4-dioxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55582431
N-(5-chloro-2-methoxyphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39267329
1-ethyl-N-(furan-2-ylmethyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39266426

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-fluoro-4-methylphenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 1-ethyl-N-(2-fluoro-4-methylphenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 39676348) is 1-ethyl-N-(2-fluoro-4-methylphenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2-fluoro-4-methylphenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 1-ethyl-N-(2-fluoro-4-methylphenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is CCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(C)cc3F)cc(C(C)C)nc21.
What is the InChIKey of 1-ethyl-N-(2-fluoro-4-methylphenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is MKOYCELRDZTTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-5-25-17-16(19(27)24-20(25)28)12(9-15(22-17)10(2)3)18(26)23-14-7-6-11(4)8-13(14)21/h6-10H,5H2,1-4H3,(H,23,26)(H,24,27,28).
What are the key properties of 1-ethyl-N-(2-fluoro-4-methylphenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
1-ethyl-N-(2-fluoro-4-methylphenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-fluoro-4-methylphenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 39676348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).