(2S)-2-amino-2,3,3-trimethyl-4-pyridin-4-ylbutanamide

C12H19N3O — CID 171044369

IUPAC(2S)-2-amino-2,3,3-trimethyl-4-pyridin-4-ylbutanamide
SMILESCC(C)(Cc1ccncc1)[C@](C)(N)C(N)=O
InChIInChI=1S/C12H19N3O/c1-11(2,12(3,14)10(13)16)8-9-4-6-15-7-5-9/h4-7H,8,14H2,1-3H3,(H2,13,16)/t12-/m1/s1
InChIKeyRQPLXGMFQBFVDU-GFCCVEGCSA-N
MW221.30 g/mol
LogP0.85
Rot. Bonds4

About (2S)-2-amino-2,3,3-trimethyl-4-pyridin-4-ylbutanamide

(2S)-2-amino-2,3,3-trimethyl-4-pyridin-4-ylbutanamide (PubChem CID 171044369) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (2S)-2-amino-2,3,3-trimethyl-4-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-2,3,3-trimethyl-4-pyridin-4-ylbutanamide
PubChem CID171044369
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(2S)-2-amino-2,3,3-trimethyl-4-pyridin-4-ylbutanamide
SMILESCC(C)(Cc1ccncc1)[C@](C)(N)C(N)=O
InChIInChI=1S/C12H19N3O/c1-11(2,12(3,14)10(13)16)8-9-4-6-15-7-5-9/h4-7H,8,14H2,1-3H3,(H2,13,16)/t12-/m1/s1
InChIKeyRQPLXGMFQBFVDU-GFCCVEGCSA-N
XLogP0.85
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-pyridin-4-ylpropan-2-amine;hydrochloride
CID 141017506
4-(2,2-dimethylpropyl)pyridine
CID 22960904
2-amino-2-methyl-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide;methanesulfonic acid
CID 174299048
2-amino-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
CID 61266560
1-(4-fluorophenyl)-2-methyl-3-pyridin-4-ylpropan-2-amine
CID 114833720
3-pyridin-4-yl-2-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 175283215
[(2R)-1-hydroxy-3,3-dimethyl-2-(pyridin-4-ylmethyl)butan-2-yl]carbamic acid
CID 69107403
1-N-ethyl-2-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 61449476
ethane;pyridin-4-ylmethylurea
CID 144877282
2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride
CID 117049122
2-amino-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 110460952
ethyl 2-methyl-2-(2-methylphenyl)-3-pyridin-4-ylpropanoate
CID 117048998

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2,3,3-trimethyl-4-pyridin-4-ylbutanamide?
The IUPAC name of (2S)-2-amino-2,3,3-trimethyl-4-pyridin-4-ylbutanamide (CID 171044369) is (2S)-2-amino-2,3,3-trimethyl-4-pyridin-4-ylbutanamide.
What is the SMILES notation for (2S)-2-amino-2,3,3-trimethyl-4-pyridin-4-ylbutanamide?
The canonical SMILES for (2S)-2-amino-2,3,3-trimethyl-4-pyridin-4-ylbutanamide is CC(C)(Cc1ccncc1)[C@](C)(N)C(N)=O.
What is the InChIKey of (2S)-2-amino-2,3,3-trimethyl-4-pyridin-4-ylbutanamide?
The InChIKey is RQPLXGMFQBFVDU-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H19N3O/c1-11(2,12(3,14)10(13)16)8-9-4-6-15-7-5-9/h4-7H,8,14H2,1-3H3,(H2,13,16)/t12-/m1/s1.
What are the key properties of (2S)-2-amino-2,3,3-trimethyl-4-pyridin-4-ylbutanamide?
(2S)-2-amino-2,3,3-trimethyl-4-pyridin-4-ylbutanamide has a molecular weight of 221.30 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2,3,3-trimethyl-4-pyridin-4-ylbutanamide is sourced from PubChem (CID 171044369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).