3-[2,6-di(propan-2-yl)anilino]-N-(pyridin-3-ylmethyl)propanamide

C21H29N3O — CID 109023591

IUPAC3-[2,6-di(propan-2-yl)anilino]-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C)c1cccc(C(C)C)c1NCCC(=O)NCc1cccnc1
InChIInChI=1S/C21H29N3O/c1-15(2)18-8-5-9-19(16(3)4)21(18)23-12-10-20(25)24-14-17-7-6-11-22-13-17/h5-9,11,13,15-16,23H,10,12,14H2,1-4H3,(H,24,25)
InChIKeyOTYJFQNQKZNDNA-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.45
Rot. Bonds8

About 3-[2,6-di(propan-2-yl)anilino]-N-(pyridin-3-ylmethyl)propanamide

3-[2,6-di(propan-2-yl)anilino]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 109023591) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 3-[2,6-di(propan-2-yl)anilino]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[2,6-di(propan-2-yl)anilino]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID109023591
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name3-[2,6-di(propan-2-yl)anilino]-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C)c1cccc(C(C)C)c1NCCC(=O)NCc1cccnc1
InChIInChI=1S/C21H29N3O/c1-15(2)18-8-5-9-19(16(3)4)21(18)23-12-10-20(25)24-14-17-7-6-11-22-13-17/h5-9,11,13,15-16,23H,10,12,14H2,1-4H3,(H,24,25)
InChIKeyOTYJFQNQKZNDNA-UHFFFAOYSA-N
XLogP4.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-difluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023616
3-(2,3-dimethylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023524
(2S)-2-amino-3,3-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]butanamide
CID 119860208
3-[4-(dimethylamino)anilino]-N-(pyridin-3-ylmethyl)propanamide
CID 109023573
3-(2-fluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023536
N-(3-methylbutyl)-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947636
N-(3-methylbutyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023656
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
3-[acetyl(butan-2-yl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113116146
2-amino-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pentanamide
CID 119860192
3-(3-cyanoanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023612
1-N-(2-methyl-6-propan-2-ylphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137086

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-di(propan-2-yl)anilino]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[2,6-di(propan-2-yl)anilino]-N-(pyridin-3-ylmethyl)propanamide (CID 109023591) is 3-[2,6-di(propan-2-yl)anilino]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[2,6-di(propan-2-yl)anilino]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[2,6-di(propan-2-yl)anilino]-N-(pyridin-3-ylmethyl)propanamide is CC(C)c1cccc(C(C)C)c1NCCC(=O)NCc1cccnc1.
What is the InChIKey of 3-[2,6-di(propan-2-yl)anilino]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is OTYJFQNQKZNDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-15(2)18-8-5-9-19(16(3)4)21(18)23-12-10-20(25)24-14-17-7-6-11-22-13-17/h5-9,11,13,15-16,23H,10,12,14H2,1-4H3,(H,24,25).
What are the key properties of 3-[2,6-di(propan-2-yl)anilino]-N-(pyridin-3-ylmethyl)propanamide?
3-[2,6-di(propan-2-yl)anilino]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 339.48 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-di(propan-2-yl)anilino]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 109023591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).