N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)acetamide

C12H19N3O — CID 63306613

IUPACN-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)NCc1ncccc1C
InChIInChI=1S/C12H19N3O/c1-3-6-13-9-12(16)15-8-11-10(2)5-4-7-14-11/h4-5,7,13H,3,6,8-9H2,1-2H3,(H,15,16)
InChIKeySWWUVJYJKNQIOT-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.01
Rot. Bonds6

About N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)acetamide

N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)acetamide (PubChem CID 63306613) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)acetamide
PubChem CID63306613
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)NCc1ncccc1C
InChIInChI=1S/C12H19N3O/c1-3-6-13-9-12(16)15-8-11-10(2)5-4-7-14-11/h4-5,7,13H,3,6,8-9H2,1-2H3,(H,15,16)
InChIKeySWWUVJYJKNQIOT-UHFFFAOYSA-N
XLogP1.01
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958341
N-benzyl-2-[(3-methyl-2-pyridinyl)methylamino]acetamide
CID 63306550
2-(tert-butylamino)-N-[(3-methyl-2-pyridinyl)methyl]acetamide
CID 78942030
N-(cyanomethyl)-2-[(3-methyl-2-pyridinyl)methylamino]acetamide
CID 63306625
2-[(3-methyl-2-pyridinyl)methylamino]-N-phenylacetamide
CID 55205384
2-(propylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896058
3-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]butanamide
CID 55206150
N-(2,6-dichlorophenyl)-2-[(3-methyl-2-pyridinyl)methylamino]acetamide
CID 63306342
N-[(2-hydroxyphenyl)methyl]-2-(propylamino)acetamide
CID 114332282
2-amino-N-[(3-methyl-2-pyridinyl)methyl]propanamide
CID 63306534
N-butyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide
CID 63306339
4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]butanoic acid
CID 55205773

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)acetamide?
The IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)acetamide (CID 63306613) is N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)acetamide.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)acetamide?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)acetamide is CCCNCC(=O)NCc1ncccc1C.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)acetamide?
The InChIKey is SWWUVJYJKNQIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-6-13-9-12(16)15-8-11-10(2)5-4-7-14-11/h4-5,7,13H,3,6,8-9H2,1-2H3,(H,15,16).
What are the key properties of N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)acetamide?
N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)acetamide has a molecular weight of 221.30 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)acetamide is sourced from PubChem (CID 63306613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).