2-amino-N-(2,6-dimethylphenyl)-N-(2-pyridin-3-ylethyl)propanamide

C18H23N3O — CID 14851624

IUPAC2-amino-N-(2,6-dimethylphenyl)-N-(2-pyridin-3-ylethyl)propanamide
SMILESCc1cccc(C)c1N(CCc1cccnc1)C(=O)C(C)N
InChIInChI=1S/C18H23N3O/c1-13-6-4-7-14(2)17(13)21(18(22)15(3)19)11-9-16-8-5-10-20-12-16/h4-8,10,12,15H,9,11,19H2,1-3H3
InChIKeyZOUSVHBUNNJOMH-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.62
Rot. Bonds5

About 2-amino-N-(2,6-dimethylphenyl)-N-(2-pyridin-3-ylethyl)propanamide

2-amino-N-(2,6-dimethylphenyl)-N-(2-pyridin-3-ylethyl)propanamide (PubChem CID 14851624) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-amino-N-(2,6-dimethylphenyl)-N-(2-pyridin-3-ylethyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(2,6-dimethylphenyl)-N-(2-pyridin-3-ylethyl)propanamide
PubChem CID14851624
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-amino-N-(2,6-dimethylphenyl)-N-(2-pyridin-3-ylethyl)propanamide
SMILESCc1cccc(C)c1N(CCc1cccnc1)C(=O)C(C)N
InChIInChI=1S/C18H23N3O/c1-13-6-4-7-14(2)17(13)21(18(22)15(3)19)11-9-16-8-5-10-20-12-16/h4-8,10,12,15H,9,11,19H2,1-3H3
InChIKeyZOUSVHBUNNJOMH-UHFFFAOYSA-N
XLogP2.62
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2,6-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 10073011
2-amino-N-(2,6-dimethylphenyl)-N-(2-pyridin-4-ylethyl)propanamide
CID 14851626
3-amino-N-(2,6-dimethylphenyl)-N-(5-pyridin-3-ylpentyl)butanamide
CID 14851595
2-amino-N-(3,5-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide
CID 70464234
(2S)-N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(6-pyridin-3-ylhexyl)propanamide
CID 70466593
4-pyridin-3-yl-N-(5-pyridin-3-ylpentyl)-N-(2,4,6-trimethylphenyl)butanamide
CID 14851656
4-pyridin-3-ylbutan-2-ylcarbamic acid
CID 146273639
2-N-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine
CID 112708855
1-N,4-dimethyl-1-N-(2-pyridin-3-ylethyl)pentane-1,3-diamine
CID 81490426
3-methyl-4-[methyl(2-pyridin-3-ylethyl)amino]butanoic acid
CID 115220133
3-(N-acetyl-2-ethyl-6-methylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113125538
2-methyl-4-pyridin-3-ylbutanoic acid
CID 79004008

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,6-dimethylphenyl)-N-(2-pyridin-3-ylethyl)propanamide?
The IUPAC name of 2-amino-N-(2,6-dimethylphenyl)-N-(2-pyridin-3-ylethyl)propanamide (CID 14851624) is 2-amino-N-(2,6-dimethylphenyl)-N-(2-pyridin-3-ylethyl)propanamide.
What is the SMILES notation for 2-amino-N-(2,6-dimethylphenyl)-N-(2-pyridin-3-ylethyl)propanamide?
The canonical SMILES for 2-amino-N-(2,6-dimethylphenyl)-N-(2-pyridin-3-ylethyl)propanamide is Cc1cccc(C)c1N(CCc1cccnc1)C(=O)C(C)N.
What is the InChIKey of 2-amino-N-(2,6-dimethylphenyl)-N-(2-pyridin-3-ylethyl)propanamide?
The InChIKey is ZOUSVHBUNNJOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-6-4-7-14(2)17(13)21(18(22)15(3)19)11-9-16-8-5-10-20-12-16/h4-8,10,12,15H,9,11,19H2,1-3H3.
What are the key properties of 2-amino-N-(2,6-dimethylphenyl)-N-(2-pyridin-3-ylethyl)propanamide?
2-amino-N-(2,6-dimethylphenyl)-N-(2-pyridin-3-ylethyl)propanamide has a molecular weight of 297.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,6-dimethylphenyl)-N-(2-pyridin-3-ylethyl)propanamide is sourced from PubChem (CID 14851624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).