2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide

C13H21N3O3 — CID 114326285

IUPAC2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
SMILESCOCCOCCCNC(=O)c1ccnc(CN)c1
InChIInChI=1S/C13H21N3O3/c1-18-7-8-19-6-2-4-16-13(17)11-3-5-15-12(9-11)10-14/h3,5,9H,2,4,6-8,10,14H2,1H3,(H,16,17)
InChIKeyZYDSKUMYDAJJSK-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.32
Rot. Bonds9

About 2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide

2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide (PubChem CID 114326285) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
PubChem CID114326285
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
SMILESCOCCOCCCNC(=O)c1ccnc(CN)c1
InChIInChI=1S/C13H21N3O3/c1-18-7-8-19-6-2-4-16-13(17)11-3-5-15-12(9-11)10-14/h3,5,9H,2,4,6-8,10,14H2,1H3,(H,16,17)
InChIKeyZYDSKUMYDAJJSK-UHFFFAOYSA-N
XLogP0.32
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
2-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pyridine-4-carboxamide
CID 113277862
2-(aminomethyl)-N-pent-4-ynylpyridine-4-carboxamide
CID 104860710
2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 114326601
N-(3-ethoxypropyl)-2-fluoropyridine-4-carboxamide
CID 61292678
2-(aminomethyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 114325900
2-(aminomethyl)-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide
CID 113277873
2-(aminomethyl)-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide
CID 114325701
2-(aminomethyl)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide
CID 104844461
2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380
4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid
CID 103790262
N-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide
CID 60668649

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide (CID 114326285) is 2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide is COCCOCCCNC(=O)c1ccnc(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide?
The InChIKey is ZYDSKUMYDAJJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-18-7-8-19-6-2-4-16-13(17)11-3-5-15-12(9-11)10-14/h3,5,9H,2,4,6-8,10,14H2,1H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide?
2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.32, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 114326285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).