N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1H-pyrazole-5-carboxamide

C17H15N5O4 — CID 153386324

IUPACN-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1H-pyrazole-5-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccoc1)NC(=O)c1[nH]ncc1-c1ccccn1
InChIInChI=1S/C17H15N5O4/c18-16(24)15(23)13(7-10-4-6-26-9-10)21-17(25)14-11(8-20-22-14)12-3-1-2-5-19-12/h1-6,8-9,13H,7H2,(H2,18,24)(H,20,22)(H,21,25)
InChIKeyJTOGMBJCKKTULE-UHFFFAOYSA-N
MW353.34 g/mol
LogP0.46
Rot. Bonds7

About N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1H-pyrazole-5-carboxamide

N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 153386324) has the molecular formula C17H15N5O4 and a molecular weight of 353.34 g/mol. Its IUPAC name is N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1H-pyrazole-5-carboxamide
PubChem CID153386324
Molecular FormulaC17H15N5O4
Molecular Weight353.34 g/mol
Exact Mass353.11
IUPAC NameN-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1H-pyrazole-5-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccoc1)NC(=O)c1[nH]ncc1-c1ccccn1
InChIInChI=1S/C17H15N5O4/c18-16(24)15(23)13(7-10-4-6-26-9-10)21-17(25)14-11(8-20-22-14)12-3-1-2-5-19-12/h1-6,8-9,13H,7H2,(H2,18,24)(H,20,22)(H,21,25)
InChIKeyJTOGMBJCKKTULE-UHFFFAOYSA-N
XLogP0.46
TPSA143.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
CID 148741054
N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide
CID 146702892
3-[[(E)-3-amino-2-methanimidoyl-3-pyridin-2-ylprop-2-enoyl]amino]-4-(furan-3-yl)-2-oxobutanamide
CID 153386288
N-[4-amino-1-(furan-2-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2-thiazole-3-carboxamide
CID 153386281
N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-5-pyridin-2-yl-1,2-thiazole-4-carboxamide
CID 153385966
N-[4-amino-3,4-dioxo-1-(1H-pyrrol-2-yl)butan-2-yl]-4-pyridin-2-yl-1H-pyrrole-3-carboxamide
CID 153484119
N-(4-amino-3,4-dioxo-1-thiophen-2-ylbutan-2-yl)-4-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 153386125
N-[1-amino-5-(furan-3-yl)-1,2-dioxopentan-3-yl]-2-methyl-3-pyridin-2-ylimidazole-4-carboxamide
CID 153385833
N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-5-methyl-4-pyridin-2-yl-1H-pyrazole-3-carboxamide
CID 149188122
N-(4-amino-3,4-dioxo-1-thiophen-3-ylbutan-2-yl)-5-pyridin-2-yl-1,2-thiazole-4-carboxamide
CID 147899427
N-[4-amino-1-(1-benzothiophen-3-yl)-3,4-dioxobutan-2-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide
CID 148869983
N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-3-methyl-4-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 153385251

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1H-pyrazole-5-carboxamide (CID 153386324) is N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1H-pyrazole-5-carboxamide is NC(=O)C(=O)C(Cc1ccoc1)NC(=O)c1[nH]ncc1-c1ccccn1.
What is the InChIKey of N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is JTOGMBJCKKTULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O4/c18-16(24)15(23)13(7-10-4-6-26-9-10)21-17(25)14-11(8-20-22-14)12-3-1-2-5-19-12/h1-6,8-9,13H,7H2,(H2,18,24)(H,20,22)(H,21,25).
What are the key properties of N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1H-pyrazole-5-carboxamide?
N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 353.34 g/mol, XLogP of 0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 153386324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).