6-[1-(2,4-dimethylphenyl)propylamino]-N,N-dimethylpyridine-3-carboxamide

C19H25N3O — CID 135107702

IUPAC6-[1-(2,4-dimethylphenyl)propylamino]-N,N-dimethylpyridine-3-carboxamide
SMILESCCC(Nc1ccc(C(=O)N(C)C)cn1)c1ccc(C)cc1C
InChIInChI=1S/C19H25N3O/c1-6-17(16-9-7-13(2)11-14(16)3)21-18-10-8-15(12-20-18)19(23)22(4)5/h7-12,17H,6H2,1-5H3,(H,20,21)
InChIKeyCDRMRRYHOYOFAE-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.96
Rot. Bonds5

About 6-[1-(2,4-dimethylphenyl)propylamino]-N,N-dimethylpyridine-3-carboxamide

6-[1-(2,4-dimethylphenyl)propylamino]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 135107702) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 6-[1-(2,4-dimethylphenyl)propylamino]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-(2,4-dimethylphenyl)propylamino]-N,N-dimethylpyridine-3-carboxamide
PubChem CID135107702
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name6-[1-(2,4-dimethylphenyl)propylamino]-N,N-dimethylpyridine-3-carboxamide
SMILESCCC(Nc1ccc(C(=O)N(C)C)cn1)c1ccc(C)cc1C
InChIInChI=1S/C19H25N3O/c1-6-17(16-9-7-13(2)11-14(16)3)21-18-10-8-15(12-20-18)19(23)22(4)5/h7-12,17H,6H2,1-5H3,(H,20,21)
InChIKeyCDRMRRYHOYOFAE-UHFFFAOYSA-N
XLogP3.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-6-(pentan-3-ylamino)pyridine-3-carboxamide
CID 78956363
6-(1-ethylsulfanylpropan-2-ylamino)-N,N-dimethylpyridine-3-carboxamide
CID 113351620
6-(hex-1-yn-3-ylamino)-N,N-dimethylpyridine-3-carboxamide
CID 114161515
6-(2,2-dimethylhydrazinyl)-N,N-dimethylpyridine-3-carboxamide
CID 83025620
N-[1-(2,4-dimethylphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 72936682
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 97209971
N-[1-(2,4-dimethylphenyl)propyl]-4-ethoxy-3-methylbenzamide
CID 133265324
N-[(1S)-1-(2,4-dimethylphenyl)propyl]pyridine-3-carboxamide
CID 100629953
N,N-dimethyl-6-(2-methylsulfanylpropylamino)pyridine-3-carboxamide
CID 115903909
6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 133302747
6-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 78958778
6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpyridine-3-carboxamide
CID 78956162

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,4-dimethylphenyl)propylamino]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[1-(2,4-dimethylphenyl)propylamino]-N,N-dimethylpyridine-3-carboxamide (CID 135107702) is 6-[1-(2,4-dimethylphenyl)propylamino]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[1-(2,4-dimethylphenyl)propylamino]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[1-(2,4-dimethylphenyl)propylamino]-N,N-dimethylpyridine-3-carboxamide is CCC(Nc1ccc(C(=O)N(C)C)cn1)c1ccc(C)cc1C.
What is the InChIKey of 6-[1-(2,4-dimethylphenyl)propylamino]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is CDRMRRYHOYOFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-6-17(16-9-7-13(2)11-14(16)3)21-18-10-8-15(12-20-18)19(23)22(4)5/h7-12,17H,6H2,1-5H3,(H,20,21).
What are the key properties of 6-[1-(2,4-dimethylphenyl)propylamino]-N,N-dimethylpyridine-3-carboxamide?
6-[1-(2,4-dimethylphenyl)propylamino]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,4-dimethylphenyl)propylamino]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 135107702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).