N-(3-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

C16H13BrN4O3 — CID 55577042

IUPACN-(3-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)Nc3cccc(Br)c3)nc2n(C)c1=O
InChIInChI=1S/C16H13BrN4O3/c1-20-13-11(15(23)21(2)16(20)24)6-7-12(19-13)14(22)18-10-5-3-4-9(17)8-10/h3-8H,1-2H3,(H,18,22)
InChIKeyBGITVRFMUMOUJL-UHFFFAOYSA-N
MW389.21 g/mol
LogP1.65
Rot. Bonds2

About N-(3-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

N-(3-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 55577042) has the molecular formula C16H13BrN4O3 and a molecular weight of 389.21 g/mol. Its IUPAC name is N-(3-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID55577042
Molecular FormulaC16H13BrN4O3
Molecular Weight389.21 g/mol
Exact Mass388.02
IUPAC NameN-(3-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)Nc3cccc(Br)c3)nc2n(C)c1=O
InChIInChI=1S/C16H13BrN4O3/c1-20-13-11(15(23)21(2)16(20)24)6-7-12(19-13)14(22)18-10-5-3-4-9(17)8-10/h3-8H,1-2H3,(H,18,22)
InChIKeyBGITVRFMUMOUJL-UHFFFAOYSA-N
XLogP1.65
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55582809
1,3-dimethyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55609025
N-(4-chloro-3-cyanophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55580012
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 60524795
1,3-dimethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 37399249
N-[2-(4-bromopyrazol-1-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55699495
N-(3-chlorophenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 66498793
N-tert-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 37132946
1,3-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55720567
N-[4-(1,3-benzothiazol-2-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 30840395
1,3-dimethyl-2,4-dioxo-N-(2-piperidin-1-ylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 39300001
1,3-dimethyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 30823859

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(3-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (CID 55577042) is N-(3-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is Cn1c(=O)c2ccc(C(=O)Nc3cccc(Br)c3)nc2n(C)c1=O.
What is the InChIKey of N-(3-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is BGITVRFMUMOUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O3/c1-20-13-11(15(23)21(2)16(20)24)6-7-12(19-13)14(22)18-10-5-3-4-9(17)8-10/h3-8H,1-2H3,(H,18,22).
What are the key properties of N-(3-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
N-(3-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 389.21 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 55577042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).