N-[1-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

C20H25N3O3 — CID 2998498

IUPACN-[1-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCOc1ccc(NC(=O)C(CC(C)C)NC(=O)c2ccccc2C)cn1
InChIInChI=1S/C20H25N3O3/c1-13(2)11-17(23-19(24)16-8-6-5-7-14(16)3)20(25)22-15-9-10-18(26-4)21-12-15/h5-10,12-13,17H,11H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyOVGPSZWEDJHYHX-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.18
Rot. Bonds7

About N-[1-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

N-[1-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (PubChem CID 2998498) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[1-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
PubChem CID2998498
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[1-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCOc1ccc(NC(=O)C(CC(C)C)NC(=O)c2ccccc2C)cn1
InChIInChI=1S/C20H25N3O3/c1-13(2)11-17(23-19(24)16-8-6-5-7-14(16)3)20(25)22-15-9-10-18(26-4)21-12-15/h5-10,12-13,17H,11H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyOVGPSZWEDJHYHX-UHFFFAOYSA-N
XLogP3.18
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide 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-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (CID 2998498) is N-[1-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is COc1ccc(NC(=O)C(CC(C)C)NC(=O)c2ccccc2C)cn1.
What is the InChIKey of N-[1-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The InChIKey is OVGPSZWEDJHYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13(2)11-17(23-19(24)16-8-6-5-7-14(16)3)20(25)22-15-9-10-18(26-4)21-12-15/h5-10,12-13,17H,11H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of N-[1-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
N-[1-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide has a molecular weight of 355.44 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 2998498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).