(2S)-2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide

C12H19N3O2 — CID 107569644

IUPAC(2S)-2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
SMILESCCC[C@H](N)C(=O)NCc1ccnc(OC)c1
InChIInChI=1S/C12H19N3O2/c1-3-4-10(13)12(16)15-8-9-5-6-14-11(7-9)17-2/h5-7,10H,3-4,8,13H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyCASBRNRFGAJEJX-JTQLQIEISA-N
MW237.30 g/mol
LogP0.83
Rot. Bonds6

About (2S)-2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide

(2S)-2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide (PubChem CID 107569644) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
PubChem CID107569644
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(2S)-2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
SMILESCCC[C@H](N)C(=O)NCc1ccnc(OC)c1
InChIInChI=1S/C12H19N3O2/c1-3-4-10(13)12(16)15-8-9-5-6-14-11(7-9)17-2/h5-7,10H,3-4,8,13H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyCASBRNRFGAJEJX-JTQLQIEISA-N
XLogP0.83
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide
CID 107568769
2-amino-N-[(3-methoxy-4-methylphenyl)methyl]pentanamide;hydrochloride
CID 119302579
ethyl (2R)-2-amino-3-(2-methoxy-4-pyridinyl)propanoate
CID 124559660
5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpentanamide
CID 82012306
2-[(2-methoxy-4-pyridinyl)methylamino]-N-pentan-2-ylacetamide
CID 62989363
2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride
CID 119281680
N-[(2-methoxy-4-pyridinyl)methyl]-2-(propylamino)acetamide
CID 62995403
2-amino-N-[(3-ethoxyphenyl)methyl]pentanamide
CID 60872985
3-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
CID 81080635
2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
CID 119271942
4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylbutanamide
CID 81080753
2-amino-N-benzylpentanamide
CID 11020044

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide (CID 107569644) is (2S)-2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide is CCC[C@H](N)C(=O)NCc1ccnc(OC)c1.
What is the InChIKey of (2S)-2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide?
The InChIKey is CASBRNRFGAJEJX-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-4-10(13)12(16)15-8-9-5-6-14-11(7-9)17-2/h5-7,10H,3-4,8,13H2,1-2H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide?
(2S)-2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide has a molecular weight of 237.30 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide is sourced from PubChem (CID 107569644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).