(2R)-2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide

C12H19N3O2 — CID 79012949

IUPAC(2R)-2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide
SMILESCOc1ncccc1CNC(=O)[C@H](N)C(C)C
InChIInChI=1S/C12H19N3O2/c1-8(2)10(13)11(16)15-7-9-5-4-6-14-12(9)17-3/h4-6,8,10H,7,13H2,1-3H3,(H,15,16)/t10-/m1/s1
InChIKeyKOVYLDSMXSXYKL-SNVBAGLBSA-N
MW237.30 g/mol
LogP0.69
Rot. Bonds5

About (2R)-2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide

(2R)-2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide (PubChem CID 79012949) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (2R)-2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide
PubChem CID79012949
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(2R)-2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide
SMILESCOc1ncccc1CNC(=O)[C@H](N)C(C)C
InChIInChI=1S/C12H19N3O2/c1-8(2)10(13)11(16)15-7-9-5-4-6-14-12(9)17-3/h4-6,8,10H,7,13H2,1-3H3,(H,15,16)/t10-/m1/s1
InChIKeyKOVYLDSMXSXYKL-SNVBAGLBSA-N
XLogP0.69
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114898125
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]butanediamide
CID 54927008
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 79196113
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-phenylpropanamide
CID 60857697
2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 47035760
2-(azetidin-3-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 116675894
(2S)-2-butoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 94795520
(2R)-2-butoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 94795522
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 61213958
1-[(2-methoxy-3-pyridinyl)methyl]-3-(3-methylbutyl)urea
CID 47164188
(2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 37247400
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 93316993

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide (CID 79012949) is (2R)-2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide is COc1ncccc1CNC(=O)[C@H](N)C(C)C.
What is the InChIKey of (2R)-2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide?
The InChIKey is KOVYLDSMXSXYKL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)10(13)11(16)15-7-9-5-4-6-14-12(9)17-3/h4-6,8,10H,7,13H2,1-3H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide?
(2R)-2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide has a molecular weight of 237.30 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 79012949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).