(2R)-2-amino-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide

C11H17N3O2S — CID 104906808

IUPAC(2R)-2-amino-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide
SMILESCOc1ccc(NC(=O)[C@H](N)CCSC)cn1
InChIInChI=1S/C11H17N3O2S/c1-16-10-4-3-8(7-13-10)14-11(15)9(12)5-6-17-2/h3-4,7,9H,5-6,12H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyQMMMRYAZXQKHTA-SECBINFHSA-N
MW255.34 g/mol
LogP1.11
Rot. Bonds6

About (2R)-2-amino-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide

(2R)-2-amino-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide (PubChem CID 104906808) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is (2R)-2-amino-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide
PubChem CID104906808
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name(2R)-2-amino-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide
SMILESCOc1ccc(NC(=O)[C@H](N)CCSC)cn1
InChIInChI=1S/C11H17N3O2S/c1-16-10-4-3-8(7-13-10)14-11(15)9(12)5-6-17-2/h3-4,7,9H,5-6,12H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyQMMMRYAZXQKHTA-SECBINFHSA-N
XLogP1.11
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-(6-methoxy-3-pyridinyl)butanamide
CID 79025042
(2S)-2-amino-N-(6-chloro-3-pyridinyl)-4-methylsulfanylbutanamide
CID 81425127
5-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pyridine-2-carboxylic acid
CID 104908861
(2S)-2-amino-4-methylsulfanyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide;dihydrochloride
CID 119854939
(2R)-2-amino-4-methylsulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide
CID 104908933
(2S)-2-(benzenesulfonamido)-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide
CID 40713383
(2S)-2-amino-N-(6-ethoxy-3-pyridinyl)pentanamide
CID 107570145
N-[1-[(6-methoxy-3-pyridinyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 16573534
(2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide
CID 61148006
(2S)-2-amino-N-(4-chloro-3-methoxyphenyl)-4-methylsulfanylbutanamide
CID 107621717
(2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119286170
ethyl N-[4-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]phenyl]carbamate
CID 104907269

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide (CID 104906808) is (2R)-2-amino-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide is COc1ccc(NC(=O)[C@H](N)CCSC)cn1.
What is the InChIKey of (2R)-2-amino-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide?
The InChIKey is QMMMRYAZXQKHTA-SECBINFHSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-16-10-4-3-8(7-13-10)14-11(15)9(12)5-6-17-2/h3-4,7,9H,5-6,12H2,1-2H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide?
(2R)-2-amino-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide has a molecular weight of 255.34 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 104906808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).