3-(aminomethyl)-N-pyridin-4-ylpentanamide

C11H17N3O — CID 81070382

IUPAC3-(aminomethyl)-N-pyridin-4-ylpentanamide
SMILESCCC(CN)CC(=O)Nc1ccncc1
InChIInChI=1S/C11H17N3O/c1-2-9(8-12)7-11(15)14-10-3-5-13-6-4-10/h3-6,9H,2,7-8,12H2,1H3,(H,13,14,15)
InChIKeyGZMJYBXLGRDIHT-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.40
Rot. Bonds5

About 3-(aminomethyl)-N-pyridin-4-ylpentanamide

3-(aminomethyl)-N-pyridin-4-ylpentanamide (PubChem CID 81070382) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-(aminomethyl)-N-pyridin-4-ylpentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-pyridin-4-ylpentanamide
PubChem CID81070382
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-(aminomethyl)-N-pyridin-4-ylpentanamide
SMILESCCC(CN)CC(=O)Nc1ccncc1
InChIInChI=1S/C11H17N3O/c1-2-9(8-12)7-11(15)14-10-3-5-13-6-4-10/h3-6,9H,2,7-8,12H2,1H3,(H,13,14,15)
InChIKeyGZMJYBXLGRDIHT-UHFFFAOYSA-N
XLogP1.40
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(4-fluorophenyl)pentanamide
CID 81071989
3-(aminomethyl)-N-(4-iodophenyl)pentanamide
CID 81070652
N-(4-acetylphenyl)-3-(aminomethyl)pentanamide
CID 81086671
3-(aminomethyl)-N-[3-(propanoylamino)phenyl]pentanamide
CID 81087226
3-(aminomethyl)-N-(4-sulfamoylphenyl)pentanamide
CID 81070870
3-(aminomethyl)-N-[3-(hydroxymethyl)phenyl]pentanamide
CID 81075870
3-(aminomethyl)-N-(3-bromo-4-methylphenyl)pentanamide
CID 81079486
3-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]pentanamide
CID 81070137
3-(aminomethyl)-N-(6-bromonaphthalen-2-yl)pentanamide
CID 81260017
3-(aminomethyl)-N-(3-methylsulfonylphenyl)pentanamide
CID 81075821
3-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]pentanamide
CID 106911721
3-(aminomethyl)-N-(4-methoxy-3-methylphenyl)pentanamide
CID 81086588

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-pyridin-4-ylpentanamide?
The IUPAC name of 3-(aminomethyl)-N-pyridin-4-ylpentanamide (CID 81070382) is 3-(aminomethyl)-N-pyridin-4-ylpentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-pyridin-4-ylpentanamide?
The canonical SMILES for 3-(aminomethyl)-N-pyridin-4-ylpentanamide is CCC(CN)CC(=O)Nc1ccncc1.
What is the InChIKey of 3-(aminomethyl)-N-pyridin-4-ylpentanamide?
The InChIKey is GZMJYBXLGRDIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-9(8-12)7-11(15)14-10-3-5-13-6-4-10/h3-6,9H,2,7-8,12H2,1H3,(H,13,14,15).
What are the key properties of 3-(aminomethyl)-N-pyridin-4-ylpentanamide?
3-(aminomethyl)-N-pyridin-4-ylpentanamide has a molecular weight of 207.28 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-pyridin-4-ylpentanamide is sourced from PubChem (CID 81070382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).