3-amino-N-(2,6-dimethylphenyl)-N-(5-pyridin-3-ylpentyl)butanamide

C22H31N3O — CID 14851595

IUPAC3-amino-N-(2,6-dimethylphenyl)-N-(5-pyridin-3-ylpentyl)butanamide
SMILESCc1cccc(C)c1N(CCCCCc1cccnc1)C(=O)CC(C)N
InChIInChI=1S/C22H31N3O/c1-17-9-7-10-18(2)22(17)25(21(26)15-19(3)23)14-6-4-5-11-20-12-8-13-24-16-20/h7-10,12-13,16,19H,4-6,11,14-15,23H2,1-3H3
InChIKeyUYVSZNZWCLGAPR-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.18
Rot. Bonds9

About 3-amino-N-(2,6-dimethylphenyl)-N-(5-pyridin-3-ylpentyl)butanamide

3-amino-N-(2,6-dimethylphenyl)-N-(5-pyridin-3-ylpentyl)butanamide (PubChem CID 14851595) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 3-amino-N-(2,6-dimethylphenyl)-N-(5-pyridin-3-ylpentyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(2,6-dimethylphenyl)-N-(5-pyridin-3-ylpentyl)butanamide
PubChem CID14851595
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name3-amino-N-(2,6-dimethylphenyl)-N-(5-pyridin-3-ylpentyl)butanamide
SMILESCc1cccc(C)c1N(CCCCCc1cccnc1)C(=O)CC(C)N
InChIInChI=1S/C22H31N3O/c1-17-9-7-10-18(2)22(17)25(21(26)15-19(3)23)14-6-4-5-11-20-12-8-13-24-16-20/h7-10,12-13,16,19H,4-6,11,14-15,23H2,1-3H3
InChIKeyUYVSZNZWCLGAPR-UHFFFAOYSA-N
XLogP4.18
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2,6-dimethylphenyl)-N-(2-pyridin-3-ylethyl)propanamide
CID 14851624
(2R)-2-amino-N-(2,6-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 10073011
4-pyridin-3-yl-N-(5-pyridin-3-ylpentyl)-N-(2,4,6-trimethylphenyl)butanamide
CID 14851656
(2S)-N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(6-pyridin-3-ylhexyl)propanamide
CID 70466593
2-amino-N-(3,5-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide
CID 70464234
3-amino-N-methyl-N-(pyridin-3-ylmethyl)butanamide;dihydrochloride
CID 119958236
2-amino-N-(2,6-dimethylphenyl)-N-(2-pyridin-4-ylethyl)propanamide
CID 14851626
3-(14-methylpentadecyl)pyridine
CID 19697272
3-butylpyridine;ethyl dodecanoate;hydrobromide
CID 175058643
3-methyl-N-(4-pyridin-3-ylbutyl)butanamide
CID 110661269
3-(5-methylhexyl)pyridine
CID 54316004
8-pyridin-3-yloctan-1-ol
CID 11830623

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,6-dimethylphenyl)-N-(5-pyridin-3-ylpentyl)butanamide?
The IUPAC name of 3-amino-N-(2,6-dimethylphenyl)-N-(5-pyridin-3-ylpentyl)butanamide (CID 14851595) is 3-amino-N-(2,6-dimethylphenyl)-N-(5-pyridin-3-ylpentyl)butanamide.
What is the SMILES notation for 3-amino-N-(2,6-dimethylphenyl)-N-(5-pyridin-3-ylpentyl)butanamide?
The canonical SMILES for 3-amino-N-(2,6-dimethylphenyl)-N-(5-pyridin-3-ylpentyl)butanamide is Cc1cccc(C)c1N(CCCCCc1cccnc1)C(=O)CC(C)N.
What is the InChIKey of 3-amino-N-(2,6-dimethylphenyl)-N-(5-pyridin-3-ylpentyl)butanamide?
The InChIKey is UYVSZNZWCLGAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-17-9-7-10-18(2)22(17)25(21(26)15-19(3)23)14-6-4-5-11-20-12-8-13-24-16-20/h7-10,12-13,16,19H,4-6,11,14-15,23H2,1-3H3.
What are the key properties of 3-amino-N-(2,6-dimethylphenyl)-N-(5-pyridin-3-ylpentyl)butanamide?
3-amino-N-(2,6-dimethylphenyl)-N-(5-pyridin-3-ylpentyl)butanamide has a molecular weight of 353.51 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,6-dimethylphenyl)-N-(5-pyridin-3-ylpentyl)butanamide is sourced from PubChem (CID 14851595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).