N-[(2-methoxy-4-pyridinyl)methyl]-2-(propylamino)acetamide

C12H19N3O2 — CID 62995403

IUPACN-[(2-methoxy-4-pyridinyl)methyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)NCc1ccnc(OC)c1
InChIInChI=1S/C12H19N3O2/c1-3-5-13-9-11(16)15-8-10-4-6-14-12(7-10)17-2/h4,6-7,13H,3,5,8-9H2,1-2H3,(H,15,16)
InChIKeySQESVAGCJWCVOF-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.71
Rot. Bonds7

About N-[(2-methoxy-4-pyridinyl)methyl]-2-(propylamino)acetamide

N-[(2-methoxy-4-pyridinyl)methyl]-2-(propylamino)acetamide (PubChem CID 62995403) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(2-methoxy-4-pyridinyl)methyl]-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-[(2-methoxy-4-pyridinyl)methyl]-2-(propylamino)acetamide
PubChem CID62995403
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[(2-methoxy-4-pyridinyl)methyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)NCc1ccnc(OC)c1
InChIInChI=1S/C12H19N3O2/c1-3-5-13-9-11(16)15-8-10-4-6-14-12(7-10)17-2/h4,6-7,13H,3,5,8-9H2,1-2H3,(H,15,16)
InChIKeySQESVAGCJWCVOF-UHFFFAOYSA-N
XLogP0.71
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.71
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-[2-[(2-methoxy-4-pyridinyl)methylamino]-2-oxoethyl]benzamide
CID 25343533
2-[(2-methoxy-4-pyridinyl)methylamino]-N-pentan-2-ylacetamide
CID 62989363
2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 62990968
2-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167308
2-chloro-N-[(2-methoxy-4-pyridinyl)methylcarbamoyl]acetamide
CID 55140170
2-(4-methoxyphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 47019682
5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
CID 62994356
1-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111228262
N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide
CID 18167302
3-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
CID 81080635
2-(3-amino-1,2,4-triazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 62989300
(2S)-2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
CID 107569644

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-2-(propylamino)acetamide?
The IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-2-(propylamino)acetamide (CID 62995403) is N-[(2-methoxy-4-pyridinyl)methyl]-2-(propylamino)acetamide.
What is the SMILES notation for N-[(2-methoxy-4-pyridinyl)methyl]-2-(propylamino)acetamide?
The canonical SMILES for N-[(2-methoxy-4-pyridinyl)methyl]-2-(propylamino)acetamide is CCCNCC(=O)NCc1ccnc(OC)c1.
What is the InChIKey of N-[(2-methoxy-4-pyridinyl)methyl]-2-(propylamino)acetamide?
The InChIKey is SQESVAGCJWCVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-5-13-9-11(16)15-8-10-4-6-14-12(7-10)17-2/h4,6-7,13H,3,5,8-9H2,1-2H3,(H,15,16).
What are the key properties of N-[(2-methoxy-4-pyridinyl)methyl]-2-(propylamino)acetamide?
N-[(2-methoxy-4-pyridinyl)methyl]-2-(propylamino)acetamide has a molecular weight of 237.30 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-pyridinyl)methyl]-2-(propylamino)acetamide is sourced from PubChem (CID 62995403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).