N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide

C25H21N5O3 — CID 25156794

IUPACN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1cc(-c2ccccc2)cn1
InChIInChI=1S/C25H21N5O3/c26-23(32)22(31)21(14-17-8-3-1-4-9-17)29-25(33)20-12-7-13-27-24(20)30-16-19(15-28-30)18-10-5-2-6-11-18/h1-13,15-16,21H,14H2,(H2,26,32)(H,29,33)
InChIKeyZCXMPEGOPQBOHU-UHFFFAOYSA-N
MW439.48 g/mol
LogP2.33
Rot. Bonds8

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide (PubChem CID 25156794) has the molecular formula C25H21N5O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide
PubChem CID25156794
Molecular FormulaC25H21N5O3
Molecular Weight439.48 g/mol
Exact Mass439.16
IUPAC NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1cc(-c2ccccc2)cn1
InChIInChI=1S/C25H21N5O3/c26-23(32)22(31)21(14-17-8-3-1-4-9-17)29-25(33)20-12-7-13-27-24(20)30-16-19(15-28-30)18-10-5-2-6-11-18/h1-13,15-16,21H,14H2,(H2,26,32)(H,29,33)
InChIKeyZCXMPEGOPQBOHU-UHFFFAOYSA-N
XLogP2.33
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 146014965
(2R)-2-{[2-(4-cyanophenyl)ethyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide
CID 146014966
1-(2,4-difluorophenyl)-4-{[3-(pyridin-4-yl)phenyl]carbonyl}-1H-pyrazol-5-amine
CID 9864447
5-Amino-1-(4-fluorophenyl)-4-[3-(pyridin-3-yl)benzoyl]pyrazole
CID 9950664
1-(4-fluorophenyl)-4-{[4-(pyridin-3-yl)phenyl]carbonyl}-1H-pyrazol-5-amine
CID 11602903
1-(2,4-difluorophenyl)-4-{[3-(pyridin-3-yl)phenyl]carbonyl}-1H-pyrazol-5-amine
CID 11689340
4-(5-((Pyridin-3-ylmethyl)amino)pyrazolo[1,5-a]pyrimidin-3-yl)benzamide
CID 145994823
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 66720197
2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 936600
N-[2-(Methylamino)-2-Oxidanylidene-Ethyl]-2-(4-Pyrazol-1-Ylphenyl)-N-(1-Pyridin-2-Ylpiperidin-4-Yl)ethanamide
CID 122391195
8-[4-[2-(4-phenylpiperidin-1-yl)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137175180
5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
CID 145994864

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide (CID 25156794) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide is NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1cc(-c2ccccc2)cn1.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide?
The InChIKey is ZCXMPEGOPQBOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3/c26-23(32)22(31)21(14-17-8-3-1-4-9-17)29-25(33)20-12-7-13-27-24(20)30-16-19(15-28-30)18-10-5-2-6-11-18/h1-13,15-16,21H,14H2,(H2,26,32)(H,29,33).
What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide?
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 25156794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).