N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide

C24H30N6O3 — CID 39984479

IUPACN-[2-(4-benzylpiperazin-1-yl)ethyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)NCCN3CCN(Cc4ccccc4)CC3)cnc21
InChIInChI=1S/C24H30N6O3/c1-2-9-30-21-20(23(32)27-24(30)33)15-19(16-26-21)22(31)25-8-10-28-11-13-29(14-12-28)17-18-6-4-3-5-7-18/h3-7,15-16H,2,8-14,17H2,1H3,(H,25,31)(H,27,32,33)
InChIKeyOLWNBLYYIZYLSB-UHFFFAOYSA-N
MW450.54 g/mol
LogP1.04
Rot. Bonds8

About N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide

N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 39984479) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID39984479
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)NCCN3CCN(Cc4ccccc4)CC3)cnc21
InChIInChI=1S/C24H30N6O3/c1-2-9-30-21-20(23(32)27-24(30)33)15-19(16-26-21)22(31)25-8-10-28-11-13-29(14-12-28)17-18-6-4-3-5-7-18/h3-7,15-16H,2,8-14,17H2,1H3,(H,25,31)(H,27,32,33)
InChIKeyOLWNBLYYIZYLSB-UHFFFAOYSA-N
XLogP1.04
TPSA103.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,4-dioxo-1-propylpyrido[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

Related Compounds

2,4-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 55555466
N-(2-ethoxyethyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 87046001
N-(1-benzylpiperidin-4-yl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 24632331
2,4-dioxo-1-propyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 37137967
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 86930470
2,4-dioxo-1-propyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 46553541
2,4-dioxo-1-propyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55970852
N-(1-cyclopropylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46553241
N-(3-chloro-2-methylphenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 36709707
N-(2-methylbutan-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46554711
6-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 47021191
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 55992153

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide (CID 39984479) is N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide is CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NCCN3CCN(Cc4ccccc4)CC3)cnc21.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is OLWNBLYYIZYLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-2-9-30-21-20(23(32)27-24(30)33)15-19(16-26-21)22(31)25-8-10-28-11-13-29(14-12-28)17-18-6-4-3-5-7-18/h3-7,15-16H,2,8-14,17H2,1H3,(H,25,31)(H,27,32,33).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 1.04, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 39984479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).