N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-2-pyrimidin-2-ylpyrazole-3-carboxamide

C17H15N7O3 — CID 153385510

IUPACN-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-2-pyrimidin-2-ylpyrazole-3-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccccn1)NC(=O)c1ccnn1-c1ncccn1
InChIInChI=1S/C17H15N7O3/c18-15(26)14(25)12(10-11-4-1-2-6-19-11)23-16(27)13-5-9-22-24(13)17-20-7-3-8-21-17/h1-9,12H,10H2,(H2,18,26)(H,23,27)
InChIKeyJZAGMXQJWSGNFF-UHFFFAOYSA-N
MW365.35 g/mol
LogP-0.55
Rot. Bonds7

About N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-2-pyrimidin-2-ylpyrazole-3-carboxamide

N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-2-pyrimidin-2-ylpyrazole-3-carboxamide (PubChem CID 153385510) has the molecular formula C17H15N7O3 and a molecular weight of 365.35 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-2-pyrimidin-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-2-pyrimidin-2-ylpyrazole-3-carboxamide
PubChem CID153385510
Molecular FormulaC17H15N7O3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC NameN-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-2-pyrimidin-2-ylpyrazole-3-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccccn1)NC(=O)c1ccnn1-c1ncccn1
InChIInChI=1S/C17H15N7O3/c18-15(26)14(25)12(10-11-4-1-2-6-19-11)23-16(27)13-5-9-22-24(13)17-20-7-3-8-21-17/h1-9,12H,10H2,(H2,18,26)(H,23,27)
InChIKeyJZAGMXQJWSGNFF-UHFFFAOYSA-N
XLogP-0.55
TPSA145.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-2-pyrimidin-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-2-pyrimidin-2-ylpyrazole-3-carboxamide (CID 153385510) is N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-2-pyrimidin-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-2-pyrimidin-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-2-pyrimidin-2-ylpyrazole-3-carboxamide is NC(=O)C(=O)C(Cc1ccccn1)NC(=O)c1ccnn1-c1ncccn1.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-2-pyrimidin-2-ylpyrazole-3-carboxamide?
The InChIKey is JZAGMXQJWSGNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O3/c18-15(26)14(25)12(10-11-4-1-2-6-19-11)23-16(27)13-5-9-22-24(13)17-20-7-3-8-21-17/h1-9,12H,10H2,(H2,18,26)(H,23,27).
What are the key properties of N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-2-pyrimidin-2-ylpyrazole-3-carboxamide?
N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-2-pyrimidin-2-ylpyrazole-3-carboxamide has a molecular weight of 365.35 g/mol, XLogP of -0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-2-pyrimidin-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 153385510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).