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

C23H25N5O3 — CID 66720071

IUPACN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-tert-butylpyrazol-1-yl)pyridine-3-carboxamide
SMILESCC(C)(C)c1ccn(-c2ncccc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n1
InChIInChI=1S/C23H25N5O3/c1-23(2,3)18-11-13-28(27-18)21-16(10-7-12-25-21)22(31)26-17(19(29)20(24)30)14-15-8-5-4-6-9-15/h4-13,17H,14H2,1-3H3,(H2,24,30)(H,26,31)
InChIKeyIERHJSFBSWWYBA-UHFFFAOYSA-N
MW419.49 g/mol
LogP1.96
Rot. Bonds7

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

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-tert-butylpyrazol-1-yl)pyridine-3-carboxamide (PubChem CID 66720071) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-tert-butylpyrazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-tert-butylpyrazol-1-yl)pyridine-3-carboxamide
PubChem CID66720071
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-tert-butylpyrazol-1-yl)pyridine-3-carboxamide
SMILESCC(C)(C)c1ccn(-c2ncccc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n1
InChIInChI=1S/C23H25N5O3/c1-23(2,3)18-11-13-28(27-18)21-16(10-7-12-25-21)22(31)26-17(19(29)20(24)30)14-15-8-5-4-6-9-15/h4-13,17H,14H2,1-3H3,(H2,24,30)(H,26,31)
InChIKeyIERHJSFBSWWYBA-UHFFFAOYSA-N
XLogP1.96
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-tert-butylpyrazol-1-yl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(azetidine-1-carbonyl)-1-methyl-N-{2-[3-phenyl-1-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl]ethyl}-1H-pyrazole-5-carboxamide
CID 71288719
2-[2-[(1-Methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
CID 46901543
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 66720197
6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 9269197
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-Fluorophenyl)methyl-Methyl-Amino]ethyl]pyrazol-1-Yl]-3~{h}-Pyrido[3,4-D]pyrimidin-4-One
CID 135567108
6-(ethylcarbamoylamino)-4-pyrazol-1-yl-~{N}-pyridin-3-yl-pyridine-3-carboxamide
CID 138454245
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
N-[4-[(7R)-4-oxo-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 157049302
6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 162639718
KDR Kinase Inhibitor, 3
CID 139402916
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[4,6-dimethyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyridine-2-carboxamide
CID 118733351

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-tert-butylpyrazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-tert-butylpyrazol-1-yl)pyridine-3-carboxamide (CID 66720071) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-tert-butylpyrazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-tert-butylpyrazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-tert-butylpyrazol-1-yl)pyridine-3-carboxamide is CC(C)(C)c1ccn(-c2ncccc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n1.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-tert-butylpyrazol-1-yl)pyridine-3-carboxamide?
The InChIKey is IERHJSFBSWWYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-23(2,3)18-11-13-28(27-18)21-16(10-7-12-25-21)22(31)26-17(19(29)20(24)30)14-15-8-5-4-6-9-15/h4-13,17H,14H2,1-3H3,(H2,24,30)(H,26,31).
What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-tert-butylpyrazol-1-yl)pyridine-3-carboxamide?
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-tert-butylpyrazol-1-yl)pyridine-3-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 1.96, 7 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-(3-tert-butylpyrazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 66720071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).