(2S)-2-amino-N-ethyl-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide

C14H23N3O — CID 61162675

IUPAC(2S)-2-amino-N-ethyl-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
SMILESCCN(Cc1ccncc1)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C14H23N3O/c1-5-17(10-11-6-8-16-9-7-11)13(18)12(15)14(2,3)4/h6-9,12H,5,10,15H2,1-4H3/t12-/m1/s1
InChIKeyKPUKGEXUYWSIHU-GFCCVEGCSA-N
MW249.36 g/mol
LogP1.80
Rot. Bonds4

About (2S)-2-amino-N-ethyl-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide

(2S)-2-amino-N-ethyl-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide (PubChem CID 61162675) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
PubChem CID61162675
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(2S)-2-amino-N-ethyl-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
SMILESCCN(Cc1ccncc1)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C14H23N3O/c1-5-17(10-11-6-8-16-9-7-11)13(18)12(15)14(2,3)4/h6-9,12H,5,10,15H2,1-4H3/t12-/m1/s1
InChIKeyKPUKGEXUYWSIHU-GFCCVEGCSA-N
XLogP1.80
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-ethyl-N-(pyridin-4-ylmethyl)pentanamide
CID 54873793
(2S)-2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 61163051
2-bromo-N-ethyl-N-(pyridin-4-ylmethyl)propanamide
CID 107904597
2-(aminomethyl)-N-ethyl-2-methyl-N-(pyridin-4-ylmethyl)butanamide
CID 114290465
(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3,3-dimethylbutanamide
CID 103929207
N-ethyl-4-(2-methylbutan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 130315749
6-amino-N-ethyl-4,4-dimethyl-N-(pyridin-4-ylmethyl)hexanamide
CID 65292091
(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,3-dimethylbutanamide
CID 61163680
2-[ethyl-[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62822188
N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;hydrochloride
CID 10125724
2-amino-N,N-diethyl-3-hydroxy-3-pyridin-4-ylpropanamide
CID 68953760
(2S)-2-amino-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 61148496

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide (CID 61162675) is (2S)-2-amino-N-ethyl-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide is CCN(Cc1ccncc1)C(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-ethyl-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide?
The InChIKey is KPUKGEXUYWSIHU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-17(10-11-6-8-16-9-7-11)13(18)12(15)14(2,3)4/h6-9,12H,5,10,15H2,1-4H3/t12-/m1/s1.
What are the key properties of (2S)-2-amino-N-ethyl-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide?
(2S)-2-amino-N-ethyl-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide has a molecular weight of 249.36 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethyl-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide is sourced from PubChem (CID 61162675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).