N-(2,6-diethylphenyl)-3-(pyridin-2-ylmethylamino)propanamide

C19H25N3O — CID 109023379

IUPACN-(2,6-diethylphenyl)-3-(pyridin-2-ylmethylamino)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCNCc1ccccn1
InChIInChI=1S/C19H25N3O/c1-3-15-8-7-9-16(4-2)19(15)22-18(23)11-13-20-14-17-10-5-6-12-21-17/h5-10,12,20H,3-4,11,13-14H2,1-2H3,(H,22,23)
InChIKeyAOIXXSUNTBSEOK-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.32
Rot. Bonds8

About N-(2,6-diethylphenyl)-3-(pyridin-2-ylmethylamino)propanamide

N-(2,6-diethylphenyl)-3-(pyridin-2-ylmethylamino)propanamide (PubChem CID 109023379) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-3-(pyridin-2-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-3-(pyridin-2-ylmethylamino)propanamide
PubChem CID109023379
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-(2,6-diethylphenyl)-3-(pyridin-2-ylmethylamino)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCNCc1ccccn1
InChIInChI=1S/C19H25N3O/c1-3-15-8-7-9-16(4-2)19(15)22-18(23)11-13-20-14-17-10-5-6-12-21-17/h5-10,12,20H,3-4,11,13-14H2,1-2H3,(H,22,23)
InChIKeyAOIXXSUNTBSEOK-UHFFFAOYSA-N
XLogP3.32
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023401
N'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108511400
3-(2-ethyl-6-methylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023219
N-[4-(dimethylamino)phenyl]-3-(pyridin-2-ylmethylamino)propanamide
CID 109023421
3-(pyridin-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109023409
N-(4-cyanophenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023461
1-N'-(2,6-diethylphenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976686
N-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023408
N-(2-phenoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023444
3-(2,6-diethylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47489186
N-(2,6-diethylphenyl)pyridine-2-carboxamide
CID 19224278
2-(2-ethyl-6-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999251

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-3-(pyridin-2-ylmethylamino)propanamide?
The IUPAC name of N-(2,6-diethylphenyl)-3-(pyridin-2-ylmethylamino)propanamide (CID 109023379) is N-(2,6-diethylphenyl)-3-(pyridin-2-ylmethylamino)propanamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-3-(pyridin-2-ylmethylamino)propanamide?
The canonical SMILES for N-(2,6-diethylphenyl)-3-(pyridin-2-ylmethylamino)propanamide is CCc1cccc(CC)c1NC(=O)CCNCc1ccccn1.
What is the InChIKey of N-(2,6-diethylphenyl)-3-(pyridin-2-ylmethylamino)propanamide?
The InChIKey is AOIXXSUNTBSEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-3-15-8-7-9-16(4-2)19(15)22-18(23)11-13-20-14-17-10-5-6-12-21-17/h5-10,12,20H,3-4,11,13-14H2,1-2H3,(H,22,23).
What are the key properties of N-(2,6-diethylphenyl)-3-(pyridin-2-ylmethylamino)propanamide?
N-(2,6-diethylphenyl)-3-(pyridin-2-ylmethylamino)propanamide has a molecular weight of 311.43 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-3-(pyridin-2-ylmethylamino)propanamide is sourced from PubChem (CID 109023379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).