3-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide

C13H21N3O2 — CID 81080635

IUPAC3-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
SMILESCCC(CN)CC(=O)NCc1ccnc(OC)c1
InChIInChI=1S/C13H21N3O2/c1-3-10(8-14)6-12(17)16-9-11-4-5-15-13(7-11)18-2/h4-5,7,10H,3,6,8-9,14H2,1-2H3,(H,16,17)
InChIKeyJBPRUNTYLOXEOH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.08
Rot. Bonds7

About 3-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide

3-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide (PubChem CID 81080635) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
PubChem CID81080635
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
SMILESCCC(CN)CC(=O)NCc1ccnc(OC)c1
InChIInChI=1S/C13H21N3O2/c1-3-10(8-14)6-12(17)16-9-11-4-5-15-13(7-11)18-2/h4-5,7,10H,3,6,8-9,14H2,1-2H3,(H,16,17)
InChIKeyJBPRUNTYLOXEOH-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-[(6-methoxy-3-pyridinyl)methyl]pentanamide
CID 81087037
5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpentanamide
CID 82012306
N-[(2-methoxy-4-pyridinyl)methyl]-2-(propylamino)acetamide
CID 62995403
(2S)-2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
CID 107569644
2-(4-methoxyphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 47019682
5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
CID 62994356
N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide
CID 18167302
2-(3-amino-1,2,4-triazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 62989300
2-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167308
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

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide?
The IUPAC name of 3-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide (CID 81080635) is 3-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide is CCC(CN)CC(=O)NCc1ccnc(OC)c1.
What is the InChIKey of 3-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide?
The InChIKey is JBPRUNTYLOXEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-10(8-14)6-12(17)16-9-11-4-5-15-13(7-11)18-2/h4-5,7,10H,3,6,8-9,14H2,1-2H3,(H,16,17).
What are the key properties of 3-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide?
3-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide 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 3-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide is sourced from PubChem (CID 81080635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).