N-(4,4-dimethylpentyl)-2-(2-methoxyethoxy)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide

C21H35N3O4 — CID 67288271

IUPACN-(4,4-dimethylpentyl)-2-(2-methoxyethoxy)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCOCCOc1nc(N2CCOCC2)cc(C)c1C(=O)NCCCC(C)(C)C
InChIInChI=1S/C21H35N3O4/c1-16-15-17(24-9-11-27-12-10-24)23-20(28-14-13-26-5)18(16)19(25)22-8-6-7-21(2,3)4/h15H,6-14H2,1-5H3,(H,22,25)
InChIKeyIFAGCSHMNZPUED-UHFFFAOYSA-N
MW393.53 g/mol
LogP2.81
Rot. Bonds9

About N-(4,4-dimethylpentyl)-2-(2-methoxyethoxy)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide

N-(4,4-dimethylpentyl)-2-(2-methoxyethoxy)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 67288271) has the molecular formula C21H35N3O4 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-(4,4-dimethylpentyl)-2-(2-methoxyethoxy)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4,4-dimethylpentyl)-2-(2-methoxyethoxy)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID67288271
Molecular FormulaC21H35N3O4
Molecular Weight393.53 g/mol
Exact Mass393.26
IUPAC NameN-(4,4-dimethylpentyl)-2-(2-methoxyethoxy)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCOCCOc1nc(N2CCOCC2)cc(C)c1C(=O)NCCCC(C)(C)C
InChIInChI=1S/C21H35N3O4/c1-16-15-17(24-9-11-27-12-10-24)23-20(28-14-13-26-5)18(16)19(25)22-8-6-7-21(2,3)4/h15H,6-14H2,1-5H3,(H,22,25)
InChIKeyIFAGCSHMNZPUED-UHFFFAOYSA-N
XLogP2.81
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentyl)-2-(2-methoxyethoxy)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-(4,4-dimethylpentyl)-2-(2-methoxyethoxy)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide (CID 67288271) is N-(4,4-dimethylpentyl)-2-(2-methoxyethoxy)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(4,4-dimethylpentyl)-2-(2-methoxyethoxy)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-(4,4-dimethylpentyl)-2-(2-methoxyethoxy)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide is COCCOc1nc(N2CCOCC2)cc(C)c1C(=O)NCCCC(C)(C)C.
What is the InChIKey of N-(4,4-dimethylpentyl)-2-(2-methoxyethoxy)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is IFAGCSHMNZPUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O4/c1-16-15-17(24-9-11-27-12-10-24)23-20(28-14-13-26-5)18(16)19(25)22-8-6-7-21(2,3)4/h15H,6-14H2,1-5H3,(H,22,25).
What are the key properties of N-(4,4-dimethylpentyl)-2-(2-methoxyethoxy)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
N-(4,4-dimethylpentyl)-2-(2-methoxyethoxy)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentyl)-2-(2-methoxyethoxy)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 67288271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).