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

C13H13N7O3 — CID 91818481

IUPACN-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NCCn1c(=O)[nH]c2ncccc2c1=O
InChIInChI=1S/C13H13N7O3/c21-10(6-19-8-14-7-17-19)15-4-5-20-12(22)9-2-1-3-16-11(9)18-13(20)23/h1-3,7-8H,4-6H2,(H,15,21)(H,16,18,23)
InChIKeyIYEXEOBXDRRRCO-UHFFFAOYSA-N
MW315.29 g/mol
LogP-1.51
Rot. Bonds5

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

N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 91818481) has the molecular formula C13H13N7O3 and a molecular weight of 315.29 g/mol. Its IUPAC name is N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID91818481
Molecular FormulaC13H13N7O3
Molecular Weight315.29 g/mol
Exact Mass315.11
IUPAC NameN-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NCCn1c(=O)[nH]c2ncccc2c1=O
InChIInChI=1S/C13H13N7O3/c21-10(6-19-8-14-7-17-19)15-4-5-20-12(22)9-2-1-3-16-11(9)18-13(20)23/h1-3,7-8H,4-6H2,(H,15,21)(H,16,18,23)
InChIKeyIYEXEOBXDRRRCO-UHFFFAOYSA-N
XLogP-1.51
TPSA127.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-pyrrol-1-ylacetamide
CID 91818482
ethyl 3-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethylcarbamoylamino]propanoate
CID 121180730
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
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
N-[2-(1H-imidazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 115649558
N-(pyridin-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 35582382
N-[(3-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 78780331
2-(1,3-benzodioxol-5-yloxy)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]propanamide
CID 91818501
2-(1,2,4-triazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 3299775

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 91818481) is N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)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-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is IYEXEOBXDRRRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O3/c21-10(6-19-8-14-7-17-19)15-4-5-20-12(22)9-2-1-3-16-11(9)18-13(20)23/h1-3,7-8H,4-6H2,(H,15,21)(H,16,18,23).
What are the key properties of N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 315.29 g/mol, XLogP of -1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 8 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-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 91818481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).