4-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]oxane-4-carboxamide

C13H21N3O2 — CID 106390797

IUPAC4-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]oxane-4-carboxamide
SMILESCn1ccc(CNC(=O)C2(CN)CCOCC2)c1
InChIInChI=1S/C13H21N3O2/c1-16-5-2-11(9-16)8-15-12(17)13(10-14)3-6-18-7-4-13/h2,5,9H,3-4,6-8,10,14H2,1H3,(H,15,17)
InChIKeyIXHCHROBPZMMAJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.40
Rot. Bonds4

About 4-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]oxane-4-carboxamide

4-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]oxane-4-carboxamide (PubChem CID 106390797) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]oxane-4-carboxamide
PubChem CID106390797
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]oxane-4-carboxamide
SMILESCn1ccc(CNC(=O)C2(CN)CCOCC2)c1
InChIInChI=1S/C13H21N3O2/c1-16-5-2-11(9-16)8-15-12(17)13(10-14)3-6-18-7-4-13/h2,5,9H,3-4,6-8,10,14H2,1H3,(H,15,17)
InChIKeyIXHCHROBPZMMAJ-UHFFFAOYSA-N
XLogP0.40
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]cycloheptane-1-carboxamide
CID 106390779
4-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]oxane-4-carboxamide
CID 107231196
4-(aminomethyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]oxane-4-carboxamide
CID 120938252
4-(aminomethyl)-N-(thiophen-3-ylmethyl)oxane-4-carboxamide;hydrochloride
CID 120923213
4-(aminomethyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120924765
4-(aminomethyl)-N-[(5-ethylthiophen-2-yl)methyl]oxane-4-carboxamide
CID 106011910
4-(aminomethyl)-N-[(2-ethylphenyl)methyl]oxane-4-carboxamide
CID 64679884
4-(aminomethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]oxane-4-carboxamide
CID 120920598
4-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]oxane-4-carboxamide
CID 62993835
4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120919233
4-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride
CID 120922244
4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxane-4-carboxamide
CID 106104420

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]oxane-4-carboxamide (CID 106390797) is 4-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]oxane-4-carboxamide is Cn1ccc(CNC(=O)C2(CN)CCOCC2)c1.
What is the InChIKey of 4-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]oxane-4-carboxamide?
The InChIKey is IXHCHROBPZMMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-16-5-2-11(9-16)8-15-12(17)13(10-14)3-6-18-7-4-13/h2,5,9H,3-4,6-8,10,14H2,1H3,(H,15,17).
What are the key properties of 4-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]oxane-4-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 106390797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).