3-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pentanamide

C13H21N3O2 — CID 81087037

IUPAC3-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pentanamide
SMILESCCC(CN)CC(=O)NCc1ccc(OC)nc1
InChIInChI=1S/C13H21N3O2/c1-3-10(7-14)6-12(17)15-8-11-4-5-13(18-2)16-9-11/h4-5,9-10H,3,6-8,14H2,1-2H3,(H,15,17)
InChIKeyMQUDEENCJDHRQT-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.08
Rot. Bonds7

About 3-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pentanamide

3-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pentanamide (PubChem CID 81087037) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pentanamide
PubChem CID81087037
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pentanamide
SMILESCCC(CN)CC(=O)NCc1ccc(OC)nc1
InChIInChI=1S/C13H21N3O2/c1-3-10(7-14)6-12(17)15-8-11-4-5-13(18-2)16-9-11/h4-5,9-10H,3,6-8,14H2,1-2H3,(H,15,17)
InChIKeyMQUDEENCJDHRQT-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

3-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
CID 81080635
3-(aminomethyl)-N-(pyridin-3-ylmethyl)pentanamide
CID 81071444
3-amino-2-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]propanamide
CID 106112443
6-amino-N-[(6-methoxy-3-pyridinyl)methyl]hexanamide
CID 61275158
4-ethyl-1-(6-methoxy-3-pyridinyl)hexan-2-one
CID 82920700
methyl 2-[(6-methoxy-3-pyridinyl)methylamino]butanoate
CID 113292334
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
methyl 2-[(6-methoxy-3-pyridinyl)methylamino]-3-methylpentanoate
CID 104578651
3-(aminomethyl)-N-[(4-nitrophenyl)methyl]pentanamide
CID 81075966
1-(2-ethylbutyl)-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111891770
N-ethyl-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide
CID 62990480
3-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]pentanamide
CID 81080396

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pentanamide?
The IUPAC name of 3-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pentanamide (CID 81087037) is 3-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pentanamide is CCC(CN)CC(=O)NCc1ccc(OC)nc1.
What is the InChIKey of 3-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pentanamide?
The InChIKey is MQUDEENCJDHRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-10(7-14)6-12(17)15-8-11-4-5-13(18-2)16-9-11/h4-5,9-10H,3,6-8,14H2,1-2H3,(H,15,17).
What are the key properties of 3-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pentanamide?
3-(aminomethyl)-N-[(6-methoxy-3-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-[(6-methoxy-3-pyridinyl)methyl]pentanamide is sourced from PubChem (CID 81087037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).