N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2-methoxyethoxy)pyridine-3-carboxamide

C18H23N3O4 — CID 47087995

IUPACN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2-methoxyethoxy)pyridine-3-carboxamide
SMILESCOCCOc1ncccc1C(=O)NCc1ncc(C)c(OC)c1C
InChIInChI=1S/C18H23N3O4/c1-12-10-20-15(13(2)16(12)24-4)11-21-17(22)14-6-5-7-19-18(14)25-9-8-23-3/h5-7,10H,8-9,11H2,1-4H3,(H,21,22)
InChIKeyKBKRQGYYKXKXNF-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.06
Rot. Bonds8

About N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2-methoxyethoxy)pyridine-3-carboxamide

N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2-methoxyethoxy)pyridine-3-carboxamide (PubChem CID 47087995) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2-methoxyethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2-methoxyethoxy)pyridine-3-carboxamide
PubChem CID47087995
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2-methoxyethoxy)pyridine-3-carboxamide
SMILESCOCCOc1ncccc1C(=O)NCc1ncc(C)c(OC)c1C
InChIInChI=1S/C18H23N3O4/c1-12-10-20-15(13(2)16(12)24-4)11-21-17(22)14-6-5-7-19-18(14)25-9-8-23-3/h5-7,10H,8-9,11H2,1-4H3,(H,21,22)
InChIKeyKBKRQGYYKXKXNF-UHFFFAOYSA-N
XLogP2.06
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2-methoxyethoxy)pyridine-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

Related Compounds

2,5-dimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]benzamide
CID 49354460
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide
CID 49354766
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 49354549
2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 110850721
N-(3,5-difluoro-4-methoxyphenyl)-2-(2-methoxyethoxy)pyridine-3-carboxamide
CID 86828234
N-[(2-hydroxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 115598782
2-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyridine-3-carboxamide
CID 118771778
(2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpentanamide
CID 95315582
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]butanoic acid
CID 43473380
N-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]phenyl]acetamide
CID 43825822
2-hydroxy-5-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309154
1-[(2-ethylphenyl)methyl]-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111636280

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2-methoxyethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2-methoxyethoxy)pyridine-3-carboxamide (CID 47087995) is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2-methoxyethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2-methoxyethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2-methoxyethoxy)pyridine-3-carboxamide is COCCOc1ncccc1C(=O)NCc1ncc(C)c(OC)c1C.
What is the InChIKey of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2-methoxyethoxy)pyridine-3-carboxamide?
The InChIKey is KBKRQGYYKXKXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-12-10-20-15(13(2)16(12)24-4)11-21-17(22)14-6-5-7-19-18(14)25-9-8-23-3/h5-7,10H,8-9,11H2,1-4H3,(H,21,22).
What are the key properties of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2-methoxyethoxy)pyridine-3-carboxamide?
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2-methoxyethoxy)pyridine-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2-methoxyethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 47087995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).