N-(3-methoxypropyl)-2-(pyridin-2-ylmethylamino)acetamide

C12H19N3O2 — CID 60647529

IUPACN-(3-methoxypropyl)-2-(pyridin-2-ylmethylamino)acetamide
SMILESCOCCCNC(=O)CNCc1ccccn1
InChIInChI=1S/C12H19N3O2/c1-17-8-4-7-15-12(16)10-13-9-11-5-2-3-6-14-11/h2-3,5-6,13H,4,7-10H2,1H3,(H,15,16)
InChIKeyVWXVWTRNRPMQQD-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.32
Rot. Bonds8

About N-(3-methoxypropyl)-2-(pyridin-2-ylmethylamino)acetamide

N-(3-methoxypropyl)-2-(pyridin-2-ylmethylamino)acetamide (PubChem CID 60647529) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(pyridin-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(pyridin-2-ylmethylamino)acetamide
PubChem CID60647529
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(3-methoxypropyl)-2-(pyridin-2-ylmethylamino)acetamide
SMILESCOCCCNC(=O)CNCc1ccccn1
InChIInChI=1S/C12H19N3O2/c1-17-8-4-7-15-12(16)10-13-9-11-5-2-3-6-14-11/h2-3,5-6,13H,4,7-10H2,1H3,(H,15,16)
InChIKeyVWXVWTRNRPMQQD-UHFFFAOYSA-N
XLogP0.32
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.32
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-methylbutyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 60671493
N-(cyanomethyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 28583464
N-(2-phenylethyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999079
2-[2-(4-methoxyphenoxy)ethylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 108999224
N-(3-methoxypropyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109206050
N-(3-methoxypropyl)-2-[(3-methyl-4-pyridinyl)methylamino]acetamide
CID 114699568
2-[[3-(methoxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide
CID 61486434
2-[[3-(hydroxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide
CID 107230510
2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(pyridin-2-ylmethylamino)methyl]oxolan-2-yl]-N-(2-methoxyethyl)acetamide
CID 26744644
2-(3-methoxypropylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109299997
6-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]pyridine-3-carboxylic acid
CID 113405119
2-(benzylamino)-N-(2-methoxyethyl)acetamide
CID 54813572

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(pyridin-2-ylmethylamino)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(pyridin-2-ylmethylamino)acetamide (CID 60647529) is N-(3-methoxypropyl)-2-(pyridin-2-ylmethylamino)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(pyridin-2-ylmethylamino)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(pyridin-2-ylmethylamino)acetamide is COCCCNC(=O)CNCc1ccccn1.
What is the InChIKey of N-(3-methoxypropyl)-2-(pyridin-2-ylmethylamino)acetamide?
The InChIKey is VWXVWTRNRPMQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-17-8-4-7-15-12(16)10-13-9-11-5-2-3-6-14-11/h2-3,5-6,13H,4,7-10H2,1H3,(H,15,16).
What are the key properties of N-(3-methoxypropyl)-2-(pyridin-2-ylmethylamino)acetamide?
N-(3-methoxypropyl)-2-(pyridin-2-ylmethylamino)acetamide has a molecular weight of 237.30 g/mol, XLogP of 0.32, 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-(pyridin-2-ylmethylamino)acetamide is sourced from PubChem (CID 60647529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).