N-(3-methoxypropyl)-2-[(3-methyl-4-pyridinyl)methylamino]acetamide

C13H21N3O2 — CID 114699568

IUPACN-(3-methoxypropyl)-2-[(3-methyl-4-pyridinyl)methylamino]acetamide
SMILESCOCCCNC(=O)CNCc1ccncc1C
InChIInChI=1S/C13H21N3O2/c1-11-8-14-6-4-12(11)9-15-10-13(17)16-5-3-7-18-2/h4,6,8,15H,3,5,7,9-10H2,1-2H3,(H,16,17)
InChIKeyLIDQFHJEUYLKTR-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.63
Rot. Bonds8

About N-(3-methoxypropyl)-2-[(3-methyl-4-pyridinyl)methylamino]acetamide

N-(3-methoxypropyl)-2-[(3-methyl-4-pyridinyl)methylamino]acetamide (PubChem CID 114699568) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[(3-methyl-4-pyridinyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[(3-methyl-4-pyridinyl)methylamino]acetamide
PubChem CID114699568
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(3-methoxypropyl)-2-[(3-methyl-4-pyridinyl)methylamino]acetamide
SMILESCOCCCNC(=O)CNCc1ccncc1C
InChIInChI=1S/C13H21N3O2/c1-11-8-14-6-4-12(11)9-15-10-13(17)16-5-3-7-18-2/h4,6,8,15H,3,5,7,9-10H2,1-2H3,(H,16,17)
InChIKeyLIDQFHJEUYLKTR-UHFFFAOYSA-N
XLogP0.63
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 60647529
2-[(2,4-difluorophenyl)methylamino]-N-(3-methoxypropyl)acetamide
CID 62228874
2-[(2,5-difluorophenyl)methylamino]-N-(3-methoxypropyl)acetamide
CID 55234926
N-(3-methoxypropyl)-2-[2-(2-methylphenyl)ethylamino]acetamide
CID 112722389
N,N-dimethyl-2-[(3-methyl-4-pyridinyl)methylamino]acetamide
CID 114699849
2-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)acetamide
CID 67968197
2-[[3-(methoxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide
CID 61486434
2-[[3-(hydroxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide
CID 107230510
2-(2-methoxyethylamino)-N-(3-methoxypropyl)acetamide;hydrochloride
CID 119672351
2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxypropyl)acetamide
CID 60647411
N-(3-methoxypropyl)-1-[(3-methyl-4-pyridinyl)methyl]imidazol-2-amine
CID 106582260
2-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
CID 114699562

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[(3-methyl-4-pyridinyl)methylamino]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[(3-methyl-4-pyridinyl)methylamino]acetamide (CID 114699568) is N-(3-methoxypropyl)-2-[(3-methyl-4-pyridinyl)methylamino]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[(3-methyl-4-pyridinyl)methylamino]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[(3-methyl-4-pyridinyl)methylamino]acetamide is COCCCNC(=O)CNCc1ccncc1C.
What is the InChIKey of N-(3-methoxypropyl)-2-[(3-methyl-4-pyridinyl)methylamino]acetamide?
The InChIKey is LIDQFHJEUYLKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-11-8-14-6-4-12(11)9-15-10-13(17)16-5-3-7-18-2/h4,6,8,15H,3,5,7,9-10H2,1-2H3,(H,16,17).
What are the key properties of N-(3-methoxypropyl)-2-[(3-methyl-4-pyridinyl)methylamino]acetamide?
N-(3-methoxypropyl)-2-[(3-methyl-4-pyridinyl)methylamino]acetamide has a molecular weight of 251.33 g/mol, XLogP of 0.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[(3-methyl-4-pyridinyl)methylamino]acetamide is sourced from PubChem (CID 114699568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).