5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpentanamide

C13H21N3O2 — CID 82012306

IUPAC5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpentanamide
SMILESCOc1cc(CNC(=O)CCC(C)CN)ccn1
InChIInChI=1S/C13H21N3O2/c1-10(8-14)3-4-12(17)16-9-11-5-6-15-13(7-11)18-2/h5-7,10H,3-4,8-9,14H2,1-2H3,(H,16,17)
InChIKeyOGKGBJNKLFFEQA-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.08
Rot. Bonds7

About 5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpentanamide

5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpentanamide (PubChem CID 82012306) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpentanamide
PubChem CID82012306
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpentanamide
SMILESCOc1cc(CNC(=O)CCC(C)CN)ccn1
InChIInChI=1S/C13H21N3O2/c1-10(8-14)3-4-12(17)16-9-11-5-6-15-13(7-11)18-2/h5-7,10H,3-4,8-9,14H2,1-2H3,(H,16,17)
InChIKeyOGKGBJNKLFFEQA-UHFFFAOYSA-N
XLogP1.08
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylbutanamide
CID 81080753
3-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
CID 81080635
5-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 82683717
5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
CID 62994356
N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide
CID 18167302
3-(4-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 18167253
N-[(2-methoxy-4-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide
CID 172903796
5-amino-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide
CID 82012253
3-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 86919796
(2S)-2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
CID 107569644
3-(2,4-dimethylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 18155598
2-(4-methoxyphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 47019682

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpentanamide?
The IUPAC name of 5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpentanamide (CID 82012306) is 5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpentanamide?
The canonical SMILES for 5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpentanamide is COc1cc(CNC(=O)CCC(C)CN)ccn1.
What is the InChIKey of 5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpentanamide?
The InChIKey is OGKGBJNKLFFEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(8-14)3-4-12(17)16-9-11-5-6-15-13(7-11)18-2/h5-7,10H,3-4,8-9,14H2,1-2H3,(H,16,17).
What are the key properties of 5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpentanamide?
5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpentanamide has a molecular weight of 251.33 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpentanamide is sourced from PubChem (CID 82012306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).