N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C19H17BrN4O3 — CID 37065091

IUPACN-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1
InChIInChI=1S/C19H17BrN4O3/c1-23(10-11-4-2-3-5-15(11)20)18(26)12-8-14-16(21-9-12)24(13-6-7-13)19(27)22-17(14)25/h2-5,8-9,13H,6-7,10H2,1H3,(H,22,25,27)
InChIKeyRBTDYGOAXLLAOV-UHFFFAOYSA-N
MW429.27 g/mol
LogP2.45
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 37065091) has the molecular formula C19H17BrN4O3 and a molecular weight of 429.27 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID37065091
Molecular FormulaC19H17BrN4O3
Molecular Weight429.27 g/mol
Exact Mass428.05
IUPAC NameN-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1
InChIInChI=1S/C19H17BrN4O3/c1-23(10-11-4-2-3-5-15(11)20)18(26)12-8-14-16(21-9-12)24(13-6-7-13)19(27)22-17(14)25/h2-5,8-9,13H,6-7,10H2,1H3,(H,22,25,27)
InChIKeyRBTDYGOAXLLAOV-UHFFFAOYSA-N
XLogP2.45
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 37065091) is N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is CN(Cc1ccccc1Br)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is RBTDYGOAXLLAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O3/c1-23(10-11-4-2-3-5-15(11)20)18(26)12-8-14-16(21-9-12)24(13-6-7-13)19(27)22-17(14)25/h2-5,8-9,13H,6-7,10H2,1H3,(H,22,25,27).
What are the key properties of N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 429.27 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 37065091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).