N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C13H10N4O4 — CID 102821067

IUPACN-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(Nc1cc(C#CCO)ccn1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C13H10N4O4/c18-5-1-2-8-3-4-14-10(6-8)16-12(20)9-7-11(19)17-13(21)15-9/h3-4,6-7,18H,5H2,(H,14,16,20)(H2,15,17,19,21)
InChIKeyYZIUHUHSGRMYOW-UHFFFAOYSA-N
MW286.25 g/mol
LogP-0.95
Rot. Bonds2

About N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 102821067) has the molecular formula C13H10N4O4 and a molecular weight of 286.25 g/mol. Its IUPAC name is N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID102821067
Molecular FormulaC13H10N4O4
Molecular Weight286.25 g/mol
Exact Mass286.07
IUPAC NameN-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(Nc1cc(C#CCO)ccn1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C13H10N4O4/c18-5-1-2-8-3-4-14-10(6-8)16-12(20)9-7-11(19)17-13(21)15-9/h3-4,6-7,18H,5H2,(H,14,16,20)(H2,15,17,19,21)
InChIKeyYZIUHUHSGRMYOW-UHFFFAOYSA-N
XLogP-0.95
TPSA127.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 60805045
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-5-nitro-1H-pyrrole-2-carboxamide
CID 102821025
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 102821026
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3,5-dimethylbenzamide
CID 102821002
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylsulfanylbenzamide
CID 102820800
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridazine-4-carboxamide
CID 102820836
2,6-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 102820907
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]cyclopropanecarboxamide
CID 102820910
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3-methylfuran-2-carboxamide
CID 102820944
5-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridine-3-carboxamide
CID 102820811
2,5-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 102821008
2,4-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 102821042

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 102821067) is N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is O=C(Nc1cc(C#CCO)ccn1)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is YZIUHUHSGRMYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O4/c18-5-1-2-8-3-4-14-10(6-8)16-12(20)9-7-11(19)17-13(21)15-9/h3-4,6-7,18H,5H2,(H,14,16,20)(H2,15,17,19,21).
What are the key properties of N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 286.25 g/mol, XLogP of -0.95, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 102821067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).