N-[4-(cyclopentyloxyamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide

C30H29N5O4 — CID 53257329

IUPACN-[4-(cyclopentyloxyamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
SMILESO=C(NOC1CCCC1)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(-c2ccccc2)n1
InChIInChI=1S/C30H29N5O4/c36-27(30(38)34-39-23-14-7-8-15-23)26(20-21-10-3-1-4-11-21)32-29(37)24-16-9-18-31-28(24)35-19-17-25(33-35)22-12-5-2-6-13-22/h1-6,9-13,16-19,23,26H,7-8,14-15,20H2,(H,32,37)(H,34,38)
InChIKeyMLKXDJOAUBMWCM-UHFFFAOYSA-N
MW523.59 g/mol
LogP3.83
Rot. Bonds10

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

N-[4-(cyclopentyloxyamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide (PubChem CID 53257329) has the molecular formula C30H29N5O4 and a molecular weight of 523.59 g/mol. Its IUPAC name is N-[4-(cyclopentyloxyamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopentyloxyamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
PubChem CID53257329
Molecular FormulaC30H29N5O4
Molecular Weight523.59 g/mol
Exact Mass523.22
IUPAC NameN-[4-(cyclopentyloxyamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
SMILESO=C(NOC1CCCC1)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(-c2ccccc2)n1
InChIInChI=1S/C30H29N5O4/c36-27(30(38)34-39-23-14-7-8-15-23)26(20-21-10-3-1-4-11-21)32-29(37)24-16-9-18-31-28(24)35-19-17-25(33-35)22-12-5-2-6-13-22/h1-6,9-13,16-19,23,26H,7-8,14-15,20H2,(H,32,37)(H,34,38)
InChIKeyMLKXDJOAUBMWCM-UHFFFAOYSA-N
XLogP3.83
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.59
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopentyloxyamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[4-(cyclopentyloxyamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide (CID 53257329) is N-[4-(cyclopentyloxyamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(cyclopentyloxyamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(cyclopentyloxyamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide is O=C(NOC1CCCC1)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(-c2ccccc2)n1.
What is the InChIKey of N-[4-(cyclopentyloxyamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide?
The InChIKey is MLKXDJOAUBMWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O4/c36-27(30(38)34-39-23-14-7-8-15-23)26(20-21-10-3-1-4-11-21)32-29(37)24-16-9-18-31-28(24)35-19-17-25(33-35)22-12-5-2-6-13-22/h1-6,9-13,16-19,23,26H,7-8,14-15,20H2,(H,32,37)(H,34,38).
What are the key properties of N-[4-(cyclopentyloxyamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide?
N-[4-(cyclopentyloxyamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide has a molecular weight of 523.59 g/mol, XLogP of 3.83, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopentyloxyamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 53257329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).