(3S)-3-amino-N-methyl-3-pyridin-3-ylbutanamide

C10H15N3O — CID 89248077

IUPAC(3S)-3-amino-N-methyl-3-pyridin-3-ylbutanamide
SMILESCNC(=O)C[C@](C)(N)c1cccnc1
InChIInChI=1S/C10H15N3O/c1-10(11,6-9(14)12-2)8-4-3-5-13-7-8/h3-5,7H,6,11H2,1-2H3,(H,12,14)/t10-/m0/s1
InChIKeySCGPEZIRHRRVNB-JTQLQIEISA-N
MW193.25 g/mol
LogP0.39
Rot. Bonds3

About (3S)-3-amino-N-methyl-3-pyridin-3-ylbutanamide

(3S)-3-amino-N-methyl-3-pyridin-3-ylbutanamide (PubChem CID 89248077) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is (3S)-3-amino-N-methyl-3-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name(3S)-3-amino-N-methyl-3-pyridin-3-ylbutanamide
PubChem CID89248077
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name(3S)-3-amino-N-methyl-3-pyridin-3-ylbutanamide
SMILESCNC(=O)C[C@](C)(N)c1cccnc1
InChIInChI=1S/C10H15N3O/c1-10(11,6-9(14)12-2)8-4-3-5-13-7-8/h3-5,7H,6,11H2,1-2H3,(H,12,14)/t10-/m0/s1
InChIKeySCGPEZIRHRRVNB-JTQLQIEISA-N
XLogP0.39
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-3-hydroxy-N-methyl-3-pyridin-3-ylpropanamide
CID 13020127
(2S)-2-pyridin-3-ylbutan-2-amine
CID 93358668
3-(methylamino)-3-pyridin-3-ylbutanamide
CID 65236236
(2S)-2-amino-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 71485674
diethyl 2-methyl-2-pyridin-3-ylpropanedioate
CID 57301531
(2-methyl-2-pyridin-3-ylpropyl)urea
CID 115168843
2-(methylamino)-2-pyridin-3-ylpropanoic acid
CID 43753628
methyl 4-amino-3-methyl-3-pyridin-3-ylbutanoate
CID 66098092
N-(2-methyl-2-pyridin-3-ylpropyl)-3-oxobutanamide
CID 115176671
methyl 2-methyl-2-pyridin-3-ylpropanoate
CID 54537815
2-amino-2-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 55078393
4-amino-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
CID 115155544

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-N-methyl-3-pyridin-3-ylbutanamide?
The IUPAC name of (3S)-3-amino-N-methyl-3-pyridin-3-ylbutanamide (CID 89248077) is (3S)-3-amino-N-methyl-3-pyridin-3-ylbutanamide.
What is the SMILES notation for (3S)-3-amino-N-methyl-3-pyridin-3-ylbutanamide?
The canonical SMILES for (3S)-3-amino-N-methyl-3-pyridin-3-ylbutanamide is CNC(=O)C[C@](C)(N)c1cccnc1.
What is the InChIKey of (3S)-3-amino-N-methyl-3-pyridin-3-ylbutanamide?
The InChIKey is SCGPEZIRHRRVNB-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15N3O/c1-10(11,6-9(14)12-2)8-4-3-5-13-7-8/h3-5,7H,6,11H2,1-2H3,(H,12,14)/t10-/m0/s1.
What are the key properties of (3S)-3-amino-N-methyl-3-pyridin-3-ylbutanamide?
(3S)-3-amino-N-methyl-3-pyridin-3-ylbutanamide has a molecular weight of 193.25 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-N-methyl-3-pyridin-3-ylbutanamide is sourced from PubChem (CID 89248077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).