N-[(3,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

C18H16F2N4O3 — CID 55580510

IUPACN-[(3,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C18H16F2N4O3/c1-22(9-10-4-6-12(19)13(20)8-10)17(26)14-7-5-11-15(21-14)23(2)18(27)24(3)16(11)25/h4-8H,9H2,1-3H3
InChIKeyGQZVQBKIRVJPEN-UHFFFAOYSA-N
MW374.35 g/mol
LogP1.18
Rot. Bonds3

About N-[(3,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

N-[(3,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 55580510) has the molecular formula C18H16F2N4O3 and a molecular weight of 374.35 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID55580510
Molecular FormulaC18H16F2N4O3
Molecular Weight374.35 g/mol
Exact Mass374.12
IUPAC NameN-[(3,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C18H16F2N4O3/c1-22(9-10-4-6-12(19)13(20)8-10)17(26)14-7-5-11-15(21-14)23(2)18(27)24(3)16(11)25/h4-8H,9H2,1-3H3
InChIKeyGQZVQBKIRVJPEN-UHFFFAOYSA-N
XLogP1.18
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (CID 55580510) is N-[(3,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is CN(Cc1ccc(F)c(F)c1)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is GQZVQBKIRVJPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O3/c1-22(9-10-4-6-12(19)13(20)8-10)17(26)14-7-5-11-15(21-14)23(2)18(27)24(3)16(11)25/h4-8H,9H2,1-3H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
N-[(3,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 374.35 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 55580510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).