N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide

C25H20ClN5O3 — CID 66719944

IUPACN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cc(Cl)cnc1-n1ccc(-c2ccccc2)n1
InChIInChI=1S/C25H20ClN5O3/c26-18-14-19(24(28-15-18)31-12-11-20(30-31)17-9-5-2-6-10-17)25(34)29-21(22(32)23(27)33)13-16-7-3-1-4-8-16/h1-12,14-15,21H,13H2,(H2,27,33)(H,29,34)
InChIKeyYCILZHPDNCWIFO-UHFFFAOYSA-N
MW473.92 g/mol
LogP2.98
Rot. Bonds8

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide (PubChem CID 66719944) has the molecular formula C25H20ClN5O3 and a molecular weight of 473.92 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
PubChem CID66719944
Molecular FormulaC25H20ClN5O3
Molecular Weight473.92 g/mol
Exact Mass473.13
IUPAC NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cc(Cl)cnc1-n1ccc(-c2ccccc2)n1
InChIInChI=1S/C25H20ClN5O3/c26-18-14-19(24(28-15-18)31-12-11-20(30-31)17-9-5-2-6-10-17)25(34)29-21(22(32)23(27)33)13-16-7-3-1-4-8-16/h1-12,14-15,21H,13H2,(H2,27,33)(H,29,34)
InChIKeyYCILZHPDNCWIFO-UHFFFAOYSA-N
XLogP2.98
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.92
LogP ≤ 52.98
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

N-[4-(methylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 67238226
N-(4-amino-3,4-dioxo-1-thiophen-2-ylbutan-2-yl)-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 66720117
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[3-(morpholin-4-ylmethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide
CID 66719988
N-[4-(cyclobutyloxyamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 53257332
N-[3,4-dioxo-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 67238293
N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-5-cyano-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 141244837
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-phenylbenzamide
CID 54553924
N-[4-(cyclopropylmethylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 67238746
2-[3-(4-fluorophenyl)pyrazol-1-yl]-N-[4-(methoxyamino)-3,4-dioxo-1-phenylbutan-2-yl]pyridine-3-carboxamide
CID 53258820
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-chloro-1-phenylpyrazole-5-carboxamide
CID 142753520
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide
CID 66720005
N-[(1S)-1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 141244816

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide (CID 66719944) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide is NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cc(Cl)cnc1-n1ccc(-c2ccccc2)n1.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide?
The InChIKey is YCILZHPDNCWIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O3/c26-18-14-19(24(28-15-18)31-12-11-20(30-31)17-9-5-2-6-10-17)25(34)29-21(22(32)23(27)33)13-16-7-3-1-4-8-16/h1-12,14-15,21H,13H2,(H2,27,33)(H,29,34).
What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide?
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide has a molecular weight of 473.92 g/mol, XLogP of 2.98, 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)-5-chloro-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 66719944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).