2-(5-amino-2-pyridinyl)-N-[2-(2-methylpropoxy)ethyl]acetamide

C13H21N3O2 — CID 107339726

IUPAC2-(5-amino-2-pyridinyl)-N-[2-(2-methylpropoxy)ethyl]acetamide
SMILESCC(C)COCCNC(=O)Cc1ccc(N)cn1
InChIInChI=1S/C13H21N3O2/c1-10(2)9-18-6-5-15-13(17)7-12-4-3-11(14)8-16-12/h3-4,8,10H,5-7,9,14H2,1-2H3,(H,15,17)
InChIKeyBFNMWKNOJHTGQD-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.00
Rot. Bonds7

About 2-(5-amino-2-pyridinyl)-N-[2-(2-methylpropoxy)ethyl]acetamide

2-(5-amino-2-pyridinyl)-N-[2-(2-methylpropoxy)ethyl]acetamide (PubChem CID 107339726) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-[2-(2-methylpropoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-[2-(2-methylpropoxy)ethyl]acetamide
PubChem CID107339726
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(5-amino-2-pyridinyl)-N-[2-(2-methylpropoxy)ethyl]acetamide
SMILESCC(C)COCCNC(=O)Cc1ccc(N)cn1
InChIInChI=1S/C13H21N3O2/c1-10(2)9-18-6-5-15-13(17)7-12-4-3-11(14)8-16-12/h3-4,8,10H,5-7,9,14H2,1-2H3,(H,15,17)
InChIKeyBFNMWKNOJHTGQD-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
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

Pyroxamide
CID 4996
1-(2-methoxyethyl)-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24819416
(2Z)-N-[2-(diethylamino)ethyl]-2-(hydroxyimino)-2-(pyridin-2-yl)ethanamide
CID 135455169
2-cyclohexyl-N-(pyridin-2-ylmethyl)acetamide
CID 806688
N-(pyridin-2-ylmethyl)cyclohexanecarboxamide
CID 823612
3-cyclohexyl-N-pyridin-3-ylpropanamide
CID 803571
N~2~-[(4-methylcyclohexyl)carbonyl]-N-pyridin-3-ylleucinamide
CID 3236151
2,4-dimethylpentan-3-yl N-[(3S)-1,2-dioxo-1-(pyridin-3-ylamino)heptan-3-yl]carbamate
CID 11199770
[(1R)-1-[[(2S)-2-amino-3-pyridin-2-ylpropanoyl]amino]-3-methylbutyl]boronic acid
CID 44583023
(2Z)-N-cyclohexyl-2-nitroso-2-(1H-pyridin-2-ylidene)acetamide
CID 135431429
N~2~-(cyclohexylcarbonyl)-N-(pyridin-2-ylmethyl)leucinamide
CID 3243575
N-phenyl-2-(2-pyridinyl)acetamide
CID 651166

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-[2-(2-methylpropoxy)ethyl]acetamide?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-[2-(2-methylpropoxy)ethyl]acetamide (CID 107339726) is 2-(5-amino-2-pyridinyl)-N-[2-(2-methylpropoxy)ethyl]acetamide.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-[2-(2-methylpropoxy)ethyl]acetamide?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-[2-(2-methylpropoxy)ethyl]acetamide is CC(C)COCCNC(=O)Cc1ccc(N)cn1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-[2-(2-methylpropoxy)ethyl]acetamide?
The InChIKey is BFNMWKNOJHTGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(2)9-18-6-5-15-13(17)7-12-4-3-11(14)8-16-12/h3-4,8,10H,5-7,9,14H2,1-2H3,(H,15,17).
What are the key properties of 2-(5-amino-2-pyridinyl)-N-[2-(2-methylpropoxy)ethyl]acetamide?
2-(5-amino-2-pyridinyl)-N-[2-(2-methylpropoxy)ethyl]acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-[2-(2-methylpropoxy)ethyl]acetamide is sourced from PubChem (CID 107339726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).