N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

C23H27N5O5S — CID 55457643

IUPACN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCn1c(=O)c2cc(NC(=O)CCc3ccc(S(=O)(=O)N4CCCCC4)cc3)cnc2n(C)c1=O
InChIInChI=1S/C23H27N5O5S/c1-26-21-19(22(30)27(2)23(26)31)14-17(15-24-21)25-20(29)11-8-16-6-9-18(10-7-16)34(32,33)28-12-4-3-5-13-28/h6-7,9-10,14-15H,3-5,8,11-13H2,1-2H3,(H,25,29)
InChIKeyHDBUXRVAQDYMJL-UHFFFAOYSA-N
MW485.57 g/mol
LogP1.38
Rot. Bonds6

About N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 55457643) has the molecular formula C23H27N5O5S and a molecular weight of 485.57 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID55457643
Molecular FormulaC23H27N5O5S
Molecular Weight485.57 g/mol
Exact Mass485.17
IUPAC NameN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCn1c(=O)c2cc(NC(=O)CCc3ccc(S(=O)(=O)N4CCCCC4)cc3)cnc2n(C)c1=O
InChIInChI=1S/C23H27N5O5S/c1-26-21-19(22(30)27(2)23(26)31)14-17(15-24-21)25-20(29)11-8-16-6-9-18(10-7-16)34(32,33)28-12-4-3-5-13-28/h6-7,9-10,14-15H,3-5,8,11-13H2,1-2H3,(H,25,29)
InChIKeyHDBUXRVAQDYMJL-UHFFFAOYSA-N
XLogP1.38
TPSA123.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.57
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide 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

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55457232
(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)prop-2-enamide
CID 55456862
3-(3,4-difluorophenyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 55607526
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55451645
3-(4-piperidin-1-ylsulfonylphenyl)-N-quinolin-3-ylpropanamide
CID 29330338
N-(6-amino-3-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 119515432
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 55685937
N-pyridin-4-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27700420
N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9271161
N-(4-methyl-2-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 35029071
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 99968197
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-[4-(azepan-1-ylsulfonyl)phenyl]propanamide
CID 24660270

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 55457643) is N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is Cn1c(=O)c2cc(NC(=O)CCc3ccc(S(=O)(=O)N4CCCCC4)cc3)cnc2n(C)c1=O.
What is the InChIKey of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is HDBUXRVAQDYMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O5S/c1-26-21-19(22(30)27(2)23(26)31)14-17(15-24-21)25-20(29)11-8-16-6-9-18(10-7-16)34(32,33)28-12-4-3-5-13-28/h6-7,9-10,14-15H,3-5,8,11-13H2,1-2H3,(H,25,29).
What are the key properties of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 485.57 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 55457643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).