N-[1-cyclooctyl-2-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide

C28H35N5O3 — CID 162362244

IUPACN-[1-cyclooctyl-2-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCc1c(-c2ccc(NC(=O)C(NC(=O)c3ccnn3C)C3CCCCCCC3)cc2)ccc(=O)n1C
InChIInChI=1S/C28H35N5O3/c1-19-23(15-16-25(34)32(19)2)20-11-13-22(14-12-20)30-28(36)26(21-9-7-5-4-6-8-10-21)31-27(35)24-17-18-29-33(24)3/h11-18,21,26H,4-10H2,1-3H3,(H,30,36)(H,31,35)
InChIKeyMNUNEQMEZUNYPR-UHFFFAOYSA-N
MW489.62 g/mol
LogP4.19
Rot. Bonds6

About N-[1-cyclooctyl-2-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide

N-[1-cyclooctyl-2-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 162362244) has the molecular formula C28H35N5O3 and a molecular weight of 489.62 g/mol. Its IUPAC name is N-[1-cyclooctyl-2-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-cyclooctyl-2-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
PubChem CID162362244
Molecular FormulaC28H35N5O3
Molecular Weight489.62 g/mol
Exact Mass489.27
IUPAC NameN-[1-cyclooctyl-2-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCc1c(-c2ccc(NC(=O)C(NC(=O)c3ccnn3C)C3CCCCCCC3)cc2)ccc(=O)n1C
InChIInChI=1S/C28H35N5O3/c1-19-23(15-16-25(34)32(19)2)20-11-13-22(14-12-20)30-28(36)26(21-9-7-5-4-6-8-10-21)31-27(35)24-17-18-29-33(24)3/h11-18,21,26H,4-10H2,1-3H3,(H,30,36)(H,31,35)
InChIKeyMNUNEQMEZUNYPR-UHFFFAOYSA-N
XLogP4.19
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-cyclooctyl-2-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-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

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclooctyl-2-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-cyclooctyl-2-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (CID 162362244) is N-[1-cyclooctyl-2-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-cyclooctyl-2-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-cyclooctyl-2-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is Cc1c(-c2ccc(NC(=O)C(NC(=O)c3ccnn3C)C3CCCCCCC3)cc2)ccc(=O)n1C.
What is the InChIKey of N-[1-cyclooctyl-2-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is MNUNEQMEZUNYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O3/c1-19-23(15-16-25(34)32(19)2)20-11-13-22(14-12-20)30-28(36)26(21-9-7-5-4-6-8-10-21)31-27(35)24-17-18-29-33(24)3/h11-18,21,26H,4-10H2,1-3H3,(H,30,36)(H,31,35).
What are the key properties of N-[1-cyclooctyl-2-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
N-[1-cyclooctyl-2-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 489.62 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclooctyl-2-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 162362244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).