3-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)butanamide

C13H21N3O — CID 55122842

IUPAC3-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)butanamide
SMILESCCNC(C)CC(=O)N(C)Cc1ccncc1
InChIInChI=1S/C13H21N3O/c1-4-15-11(2)9-13(17)16(3)10-12-5-7-14-8-6-12/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyUONXGTUTLQFXHD-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.43
Rot. Bonds6

About 3-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)butanamide

3-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)butanamide (PubChem CID 55122842) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)butanamide
PubChem CID55122842
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)butanamide
SMILESCCNC(C)CC(=O)N(C)Cc1ccncc1
InChIInChI=1S/C13H21N3O/c1-4-15-11(2)9-13(17)16(3)10-12-5-7-14-8-6-12/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyUONXGTUTLQFXHD-UHFFFAOYSA-N
XLogP1.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]butanamide
CID 62838320
N-[(3,4-dimethoxyphenyl)methyl]-3-(ethylamino)-N-methylbutanamide
CID 62837059
3-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 81070672
3-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
CID 64519617
2-amino-4-[methyl(pyridin-4-ylmethyl)amino]-4-oxobutanoic acid
CID 115181125
N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 43564524
3-(ethylamino)-N-[(2-methoxyphenyl)methyl]-N-methylbutanamide
CID 55121106
N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)-N-methylbutanamide
CID 62837784
(3R)-N-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanamide
CID 95131612
2-(hydroxymethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 115187356
(2S)-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)propanamide
CID 94155976
3-[methyl(pyridin-4-ylmethyl)amino]butanehydrazide
CID 63571998

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)butanamide?
The IUPAC name of 3-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)butanamide (CID 55122842) is 3-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)butanamide.
What is the SMILES notation for 3-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)butanamide?
The canonical SMILES for 3-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)butanamide is CCNC(C)CC(=O)N(C)Cc1ccncc1.
What is the InChIKey of 3-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)butanamide?
The InChIKey is UONXGTUTLQFXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-15-11(2)9-13(17)16(3)10-12-5-7-14-8-6-12/h5-8,11,15H,4,9-10H2,1-3H3.
What are the key properties of 3-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)butanamide?
3-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)butanamide has a molecular weight of 235.33 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)butanamide is sourced from PubChem (CID 55122842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).