N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide

C17H16N6O3 — CID 146702892

IUPACN-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide
SMILESNC(=O)C(=O)C(Cc1cc[nH]c1)NC(=O)c1cn[nH]c1-c1ccccn1
InChIInChI=1S/C17H16N6O3/c18-16(25)15(24)13(7-10-4-6-19-8-10)22-17(26)11-9-21-23-14(11)12-3-1-2-5-20-12/h1-6,8-9,13,19H,7H2,(H2,18,25)(H,21,23)(H,22,26)
InChIKeyQWNZHPYNQIEYFG-UHFFFAOYSA-N
MW352.35 g/mol
LogP0.20
Rot. Bonds7

About N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide

N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide (PubChem CID 146702892) has the molecular formula C17H16N6O3 and a molecular weight of 352.35 g/mol. Its IUPAC name is N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide
PubChem CID146702892
Molecular FormulaC17H16N6O3
Molecular Weight352.35 g/mol
Exact Mass352.13
IUPAC NameN-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide
SMILESNC(=O)C(=O)C(Cc1cc[nH]c1)NC(=O)c1cn[nH]c1-c1ccccn1
InChIInChI=1S/C17H16N6O3/c18-16(25)15(24)13(7-10-4-6-19-8-10)22-17(26)11-9-21-23-14(11)12-3-1-2-5-20-12/h1-6,8-9,13,19H,7H2,(H2,18,25)(H,21,23)(H,22,26)
InChIKeyQWNZHPYNQIEYFG-UHFFFAOYSA-N
XLogP0.20
TPSA146.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-methyl-4-pyridin-2-yl-1H-pyrrole-3-carboxamide
CID 153386322
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-(1H-pyrrol-2-yl)butan-2-yl]-4-pyridin-2-yl-1H-pyrrole-3-carboxamide
CID 153484119
N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
CID 153385762
N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 153386324
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-thiophen-3-ylbutan-2-yl)-5-pyridin-2-yl-1,2-thiazole-4-carboxamide
CID 147899427
N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide
CID 153484047
5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid;dihydrochloride
CID 121229973
N-[4-amino-3,4-dioxo-1-(1H-pyrrol-2-yl)butan-2-yl]-4-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 153483969
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-phenylbutan-2-yl)-3-chloro-4-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 148993865

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide (CID 146702892) is N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide is NC(=O)C(=O)C(Cc1cc[nH]c1)NC(=O)c1cn[nH]c1-c1ccccn1.
What is the InChIKey of N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide?
The InChIKey is QWNZHPYNQIEYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O3/c18-16(25)15(24)13(7-10-4-6-19-8-10)22-17(26)11-9-21-23-14(11)12-3-1-2-5-20-12/h1-6,8-9,13,19H,7H2,(H2,18,25)(H,21,23)(H,22,26).
What are the key properties of N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide?
N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide has a molecular weight of 352.35 g/mol, XLogP of 0.20, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 146702892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).