1-(furan-2-ylmethyl)-7-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide

C21H15F3N4O4 — CID 66498823

IUPAC1-(furan-2-ylmethyl)-7-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc2c(cc1C(=O)Nc1cccc(C(F)(F)F)c1)c(=O)[nH]c(=O)n2Cc1ccco1
InChIInChI=1S/C21H15F3N4O4/c1-11-15(18(29)26-13-5-2-4-12(8-13)21(22,23)24)9-16-17(25-11)28(20(31)27-19(16)30)10-14-6-3-7-32-14/h2-9H,10H2,1H3,(H,26,29)(H,27,30,31)
InChIKeyPXJAFWRGRGNXTC-UHFFFAOYSA-N
MW444.37 g/mol
LogP3.31
Rot. Bonds4

About 1-(furan-2-ylmethyl)-7-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide

1-(furan-2-ylmethyl)-7-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 66498823) has the molecular formula C21H15F3N4O4 and a molecular weight of 444.37 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-7-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-7-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID66498823
Molecular FormulaC21H15F3N4O4
Molecular Weight444.37 g/mol
Exact Mass444.10
IUPAC Name1-(furan-2-ylmethyl)-7-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc2c(cc1C(=O)Nc1cccc(C(F)(F)F)c1)c(=O)[nH]c(=O)n2Cc1ccco1
InChIInChI=1S/C21H15F3N4O4/c1-11-15(18(29)26-13-5-2-4-12(8-13)21(22,23)24)9-16-17(25-11)28(20(31)27-19(16)30)10-14-6-3-7-32-14/h2-9H,10H2,1H3,(H,26,29)(H,27,30,31)
InChIKeyPXJAFWRGRGNXTC-UHFFFAOYSA-N
XLogP3.31
TPSA109.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 56737907
3-(furan-2-ylmethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261441
N-(3-acetamidophenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025685
4-(furan-2-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 6464316
N-[4-amino-6-oxo-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-1H-pyrimidin-5-yl]furan-2-carboxamide
CID 135529335
3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 8762528
7-methyl-N-(2-methylphenyl)-2,4-dioxo-1-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 66498745
2-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16586680
4-hydroxy-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
CID 54713541
N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 60604429
2-[furan-2-ylmethyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 9333158
2-methyl-6-(trifluoromethyl)-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 31883802

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-7-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-7-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide (CID 66498823) is 1-(furan-2-ylmethyl)-7-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-7-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-7-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide is Cc1nc2c(cc1C(=O)Nc1cccc(C(F)(F)F)c1)c(=O)[nH]c(=O)n2Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-7-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is PXJAFWRGRGNXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O4/c1-11-15(18(29)26-13-5-2-4-12(8-13)21(22,23)24)9-16-17(25-11)28(20(31)27-19(16)30)10-14-6-3-7-32-14/h2-9H,10H2,1H3,(H,26,29)(H,27,30,31).
What are the key properties of 1-(furan-2-ylmethyl)-7-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
1-(furan-2-ylmethyl)-7-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 444.37 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-7-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 66498823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).