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

C19H19FN4O3 — CID 39267249

IUPAC1-ethyl-N-(3-fluorophenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3cccc(F)c3)cc(C(C)C)nc21
InChIInChI=1S/C19H19FN4O3/c1-4-24-16-15(18(26)23-19(24)27)13(9-14(22-16)10(2)3)17(25)21-12-7-5-6-11(20)8-12/h5-10H,4H2,1-3H3,(H,21,25)(H,23,26,27)
InChIKeyNFVAPOHMLLSLDV-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.62
Rot. Bonds4

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

1-ethyl-N-(3-fluorophenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 39267249) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is 1-ethyl-N-(3-fluorophenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(3-fluorophenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID39267249
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name1-ethyl-N-(3-fluorophenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3cccc(F)c3)cc(C(C)C)nc21
InChIInChI=1S/C19H19FN4O3/c1-4-24-16-15(18(26)23-19(24)27)13(9-14(22-16)10(2)3)17(25)21-12-7-5-6-11(20)8-12/h5-10H,4H2,1-3H3,(H,21,25)(H,23,26,27)
InChIKeyNFVAPOHMLLSLDV-UHFFFAOYSA-N
XLogP2.62
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39297501
1-ethyl-N-(5-fluoro-2-methylphenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39297586
methyl 2-[[3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzoyl]amino]acetate
CID 55962659
1-ethyl-N-(2-fluoro-4-methylphenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39676348
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
N-(3-chlorophenyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55568821
1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylic acid
CID 18802061
N-(2-aminoethyl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 119384958
N-[(3-bromo-5-fluorophenyl)methyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55978596
ethyl 5-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]-1-benzothiophene-2-carboxylate
CID 55627109
1-ethyl-N-(furan-2-ylmethyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39266426
1-ethyl-N-(4-methylpentyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 33077897

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-fluorophenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 1-ethyl-N-(3-fluorophenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 39267249) is 1-ethyl-N-(3-fluorophenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-(3-fluorophenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 1-ethyl-N-(3-fluorophenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is CCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3cccc(F)c3)cc(C(C)C)nc21.
What is the InChIKey of 1-ethyl-N-(3-fluorophenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is NFVAPOHMLLSLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-4-24-16-15(18(26)23-19(24)27)13(9-14(22-16)10(2)3)17(25)21-12-7-5-6-11(20)8-12/h5-10H,4H2,1-3H3,(H,21,25)(H,23,26,27).
What are the key properties of 1-ethyl-N-(3-fluorophenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
1-ethyl-N-(3-fluorophenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-fluorophenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 39267249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).