N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide

C22H16FN5O4 — CID 55947481

IUPACN-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESO=C(NCc1cccc(NC(=O)c2cccc(F)c2)c1)c1cnc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C22H16FN5O4/c23-15-5-2-4-13(8-15)20(30)26-16-6-1-3-12(7-16)10-25-19(29)14-9-17-18(24-11-14)27-22(32)28-21(17)31/h1-9,11H,10H2,(H,25,29)(H,26,30)(H2,24,27,28,31,32)
InChIKeyHTMMXJKHCKPHEL-UHFFFAOYSA-N
MW433.40 g/mol
LogP1.93
Rot. Bonds5

About N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide

N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55947481) has the molecular formula C22H16FN5O4 and a molecular weight of 433.40 g/mol. Its IUPAC name is N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID55947481
Molecular FormulaC22H16FN5O4
Molecular Weight433.40 g/mol
Exact Mass433.12
IUPAC NameN-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESO=C(NCc1cccc(NC(=O)c2cccc(F)c2)c1)c1cnc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C22H16FN5O4/c23-15-5-2-4-13(8-15)20(30)26-16-6-1-3-12(7-16)10-25-19(29)14-9-17-18(24-11-14)27-22(32)28-21(17)31/h1-9,11H,10H2,(H,25,29)(H,26,30)(H2,24,27,28,31,32)
InChIKeyHTMMXJKHCKPHEL-UHFFFAOYSA-N
XLogP1.93
TPSA136.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.40
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-[(3-acetamidophenyl)methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55838313
3-[2-[[3-[(3-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethoxy]benzamide
CID 55947735
3-fluoro-N-[3-[(3-pyridin-3-ylpropanoylamino)methyl]phenyl]benzamide
CID 47063746
3-fluoro-N-[3-[(2,3,3,3-tetrafluoropropanoylamino)methyl]phenyl]benzamide
CID 119039957
3-fluoro-N-[3-[[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]methyl]phenyl]benzamide
CID 55947223
3-fluoro-N-[3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]phenyl]benzamide
CID 99834490
N-[1-(3-benzamidophenyl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55837618
3-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide
CID 55894310
N-[3-(bromomethyl)phenyl]-3-fluorobenzamide
CID 114307159
3-fluoro-N-[3-[[3-(3-fluorophenyl)prop-2-enoylamino]methyl]phenyl]benzamide
CID 55894437
3-fluoro-N-[3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]benzamide
CID 133319767
N-[3-[[[2-(cyanomethylsulfanyl)acetyl]amino]methyl]phenyl]-3-fluorobenzamide
CID 47063751

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide (CID 55947481) is N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide is O=C(NCc1cccc(NC(=O)c2cccc(F)c2)c1)c1cnc2[nH]c(=O)[nH]c(=O)c2c1.
What is the InChIKey of N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is HTMMXJKHCKPHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O4/c23-15-5-2-4-13(8-15)20(30)26-16-6-1-3-12(7-16)10-25-19(29)14-9-17-18(24-11-14)27-22(32)28-21(17)31/h1-9,11H,10H2,(H,25,29)(H,26,30)(H2,24,27,28,31,32).
What are the key properties of N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 433.40 g/mol, XLogP of 1.93, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55947481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).