N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-pyrrol-1-ylacetamide

C15H15N5O3 — CID 91818482

IUPACN-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-pyrrol-1-ylacetamide
SMILESO=C(Cn1cccc1)NCCn1c(=O)[nH]c2ncccc2c1=O
InChIInChI=1S/C15H15N5O3/c21-12(10-19-7-1-2-8-19)16-6-9-20-14(22)11-4-3-5-17-13(11)18-15(20)23/h1-5,7-8H,6,9-10H2,(H,16,21)(H,17,18,23)
InChIKeyBYDLBNSNWKBINN-UHFFFAOYSA-N
MW313.32 g/mol
LogP-0.30
Rot. Bonds5

About N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-pyrrol-1-ylacetamide

N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-pyrrol-1-ylacetamide (PubChem CID 91818482) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-pyrrol-1-ylacetamide
PubChem CID91818482
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC NameN-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-pyrrol-1-ylacetamide
SMILESO=C(Cn1cccc1)NCCn1c(=O)[nH]c2ncccc2c1=O
InChIInChI=1S/C15H15N5O3/c21-12(10-19-7-1-2-8-19)16-6-9-20-14(22)11-4-3-5-17-13(11)18-15(20)23/h1-5,7-8H,6,9-10H2,(H,16,21)(H,17,18,23)
InChIKeyBYDLBNSNWKBINN-UHFFFAOYSA-N
XLogP-0.30
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-pyrrol-1-ylacetamide 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-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 91818481
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]acetamide
CID 91818477
2-(1,3-benzodioxol-5-yl)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]acetamide
CID 91818484
methyl 4-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethylcarbamoyl]benzoate
CID 91818452
ethyl 3-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethylcarbamoylamino]propanoate
CID 121180730
N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-3-methylsulfanylbenzamide
CID 119102277
N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119102270
2-(1,3-benzodioxol-5-yloxy)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]propanamide
CID 91818501
3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 20879786
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(4-oxo-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 46369277
N-[2-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)ethyl]-3-phenylpropanamide
CID 71706166
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119447887

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-pyrrol-1-ylacetamide?
The IUPAC name of N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-pyrrol-1-ylacetamide (CID 91818482) is N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-pyrrol-1-ylacetamide is O=C(Cn1cccc1)NCCn1c(=O)[nH]c2ncccc2c1=O.
What is the InChIKey of N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-pyrrol-1-ylacetamide?
The InChIKey is BYDLBNSNWKBINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c21-12(10-19-7-1-2-8-19)16-6-9-20-14(22)11-4-3-5-17-13(11)18-15(20)23/h1-5,7-8H,6,9-10H2,(H,16,21)(H,17,18,23).
What are the key properties of N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-pyrrol-1-ylacetamide?
N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-pyrrol-1-ylacetamide has a molecular weight of 313.32 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 91818482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).