N-[3-(5-chloro-2-methoxy-4-pyridinyl)-5-methoxy-2-pyridinyl]-2,2-dimethylpropanamide

C17H20ClN3O3 — CID 58354718

IUPACN-[3-(5-chloro-2-methoxy-4-pyridinyl)-5-methoxy-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCOc1cnc(NC(=O)C(C)(C)C)c(-c2cc(OC)ncc2Cl)c1
InChIInChI=1S/C17H20ClN3O3/c1-17(2,3)16(22)21-15-12(6-10(23-4)8-20-15)11-7-14(24-5)19-9-13(11)18/h6-9H,1-5H3,(H,20,21,22)
InChIKeySHELJIATBULGCK-UHFFFAOYSA-N
MW349.82 g/mol
LogP3.80
Rot. Bonds4

About N-[3-(5-chloro-2-methoxy-4-pyridinyl)-5-methoxy-2-pyridinyl]-2,2-dimethylpropanamide

N-[3-(5-chloro-2-methoxy-4-pyridinyl)-5-methoxy-2-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 58354718) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is N-[3-(5-chloro-2-methoxy-4-pyridinyl)-5-methoxy-2-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-(5-chloro-2-methoxy-4-pyridinyl)-5-methoxy-2-pyridinyl]-2,2-dimethylpropanamide
PubChem CID58354718
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC NameN-[3-(5-chloro-2-methoxy-4-pyridinyl)-5-methoxy-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCOc1cnc(NC(=O)C(C)(C)C)c(-c2cc(OC)ncc2Cl)c1
InChIInChI=1S/C17H20ClN3O3/c1-17(2,3)16(22)21-15-12(6-10(23-4)8-20-15)11-7-14(24-5)19-9-13(11)18/h6-9H,1-5H3,(H,20,21,22)
InChIKeySHELJIATBULGCK-UHFFFAOYSA-N
XLogP3.80
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(5-chloro-2-methoxy-4-pyridinyl)-5-methoxy-2-pyridinyl]-2,2-dimethylpropanamide 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

N-(2-bromo-5-methoxy-3-pyridinyl)-2,2-dimethylpropanamide
CID 46737856
N-[3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-2-pyridinyl]acetamide
CID 171677285
N-(6,7-dimethoxyquinazolin-4-yl)-2,2-dimethylpropanamide
CID 155236083
2-methoxy-4-(2,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine
CID 134620746
N-(3,5-dimethyl-2-pyridinyl)-5-methoxy-3-methylpyridine-2-carboxamide;ethane
CID 178150429
methyl 2-methoxy-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylate
CID 134636667
N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide
CID 59829116
methyl 2-methoxy-5-(2,4,6-trichlorophenyl)pyridine-4-carboxylate
CID 134636206
5-chloro-2-methoxy-4-(1H-pyrazol-5-yl)pyridine
CID 175726727
4-bromo-5-chloro-2-methoxypyridine
CID 70700260
N-(6-chloro-4-methyl-2-pyridinyl)-2,2-dimethylpropanamide
CID 59165851
4-chloro-3-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid
CID 43358856

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-2-methoxy-4-pyridinyl)-5-methoxy-2-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-(5-chloro-2-methoxy-4-pyridinyl)-5-methoxy-2-pyridinyl]-2,2-dimethylpropanamide (CID 58354718) is N-[3-(5-chloro-2-methoxy-4-pyridinyl)-5-methoxy-2-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-(5-chloro-2-methoxy-4-pyridinyl)-5-methoxy-2-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-(5-chloro-2-methoxy-4-pyridinyl)-5-methoxy-2-pyridinyl]-2,2-dimethylpropanamide is COc1cnc(NC(=O)C(C)(C)C)c(-c2cc(OC)ncc2Cl)c1.
What is the InChIKey of N-[3-(5-chloro-2-methoxy-4-pyridinyl)-5-methoxy-2-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is SHELJIATBULGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-17(2,3)16(22)21-15-12(6-10(23-4)8-20-15)11-7-14(24-5)19-9-13(11)18/h6-9H,1-5H3,(H,20,21,22).
What are the key properties of N-[3-(5-chloro-2-methoxy-4-pyridinyl)-5-methoxy-2-pyridinyl]-2,2-dimethylpropanamide?
N-[3-(5-chloro-2-methoxy-4-pyridinyl)-5-methoxy-2-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 349.82 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-2-methoxy-4-pyridinyl)-5-methoxy-2-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 58354718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).