N',2-dimethyl-N'-(2-pyridin-4-ylethyl)butanediamide

C13H19N3O2 — CID 112510368

IUPACN',2-dimethyl-N'-(2-pyridin-4-ylethyl)butanediamide
SMILESCC(CC(=O)N(C)CCc1ccncc1)C(N)=O
InChIInChI=1S/C13H19N3O2/c1-10(13(14)18)9-12(17)16(2)8-5-11-3-6-15-7-4-11/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,14,18)
InChIKeyKGCHIVIZUUIYHQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.59
Rot. Bonds6

About N',2-dimethyl-N'-(2-pyridin-4-ylethyl)butanediamide

N',2-dimethyl-N'-(2-pyridin-4-ylethyl)butanediamide (PubChem CID 112510368) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N',2-dimethyl-N'-(2-pyridin-4-ylethyl)butanediamide.

Molecular Properties

Compound NameN',2-dimethyl-N'-(2-pyridin-4-ylethyl)butanediamide
PubChem CID112510368
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN',2-dimethyl-N'-(2-pyridin-4-ylethyl)butanediamide
SMILESCC(CC(=O)N(C)CCc1ccncc1)C(N)=O
InChIInChI=1S/C13H19N3O2/c1-10(13(14)18)9-12(17)16(2)8-5-11-3-6-15-7-4-11/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,14,18)
InChIKeyKGCHIVIZUUIYHQ-UHFFFAOYSA-N
XLogP0.59
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]-5-oxopentanoic acid
CID 62966262
3-cyano-N,4-dimethyl-N-(2-pyridin-4-ylethyl)pentanamide
CID 112516763
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
5-amino-N,4-dimethyl-N-(2-pyridin-4-ylethyl)pentanamide
CID 82010789
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 108993197
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 28711694
N-methyl-2-[methylsulfonyl(propan-2-yl)amino]-N-(2-pyridin-4-ylethyl)acetamide
CID 113147692
methyl (2S)-2-amino-5-[methyl(2-pyridin-4-ylethyl)amino]-5-oxopentanoate;hydrochloride
CID 168741293
2-(2-methoxyethoxy)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113228898
N-methyl-N-(3-methylbutyl)-3-pyridin-4-ylpropanamide
CID 78897799

Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N'-(2-pyridin-4-ylethyl)butanediamide?
The IUPAC name of N',2-dimethyl-N'-(2-pyridin-4-ylethyl)butanediamide (CID 112510368) is N',2-dimethyl-N'-(2-pyridin-4-ylethyl)butanediamide.
What is the SMILES notation for N',2-dimethyl-N'-(2-pyridin-4-ylethyl)butanediamide?
The canonical SMILES for N',2-dimethyl-N'-(2-pyridin-4-ylethyl)butanediamide is CC(CC(=O)N(C)CCc1ccncc1)C(N)=O.
What is the InChIKey of N',2-dimethyl-N'-(2-pyridin-4-ylethyl)butanediamide?
The InChIKey is KGCHIVIZUUIYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10(13(14)18)9-12(17)16(2)8-5-11-3-6-15-7-4-11/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,14,18).
What are the key properties of N',2-dimethyl-N'-(2-pyridin-4-ylethyl)butanediamide?
N',2-dimethyl-N'-(2-pyridin-4-ylethyl)butanediamide has a molecular weight of 249.31 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N'-(2-pyridin-4-ylethyl)butanediamide is sourced from PubChem (CID 112510368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).