N-[(3-fluoro-4-methoxyphenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C19H19FN4O4 — CID 25467091

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1F
InChIInChI=1S/C19H19FN4O4/c1-22(10-11-5-6-15(28-4)14(20)7-11)17(25)12-8-13-16(21-9-12)23(2)19(27)24(3)18(13)26/h5-9H,10H2,1-4H3
InChIKeyAPUBJPPUUCGMAC-UHFFFAOYSA-N
MW386.38 g/mol
LogP1.05
Rot. Bonds4

About N-[(3-fluoro-4-methoxyphenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

N-[(3-fluoro-4-methoxyphenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 25467091) has the molecular formula C19H19FN4O4 and a molecular weight of 386.38 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID25467091
Molecular FormulaC19H19FN4O4
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1F
InChIInChI=1S/C19H19FN4O4/c1-22(10-11-5-6-15(28-4)14(20)7-11)17(25)12-8-13-16(21-9-12)23(2)19(27)24(3)18(13)26/h5-9H,10H2,1-4H3
InChIKeyAPUBJPPUUCGMAC-UHFFFAOYSA-N
XLogP1.05
TPSA86.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 25467091) is N-[(3-fluoro-4-methoxyphenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is COc1ccc(CN(C)C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is APUBJPPUUCGMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O4/c1-22(10-11-5-6-15(28-4)14(20)7-11)17(25)12-8-13-16(21-9-12)23(2)19(27)24(3)18(13)26/h5-9H,10H2,1-4H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 386.38 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 25467091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).