N-cyclopropyl-3-[(1-propylpyrrol-2-yl)methylamino]propanamide

C14H23N3O — CID 79394241

IUPACN-cyclopropyl-3-[(1-propylpyrrol-2-yl)methylamino]propanamide
SMILESCCCn1cccc1CNCCC(=O)NC1CC1
InChIInChI=1S/C14H23N3O/c1-2-9-17-10-3-4-13(17)11-15-8-7-14(18)16-12-5-6-12/h3-4,10,12,15H,2,5-9,11H2,1H3,(H,16,18)
InChIKeyLPYZOXOGFBLWAB-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.66
Rot. Bonds8

About N-cyclopropyl-3-[(1-propylpyrrol-2-yl)methylamino]propanamide

N-cyclopropyl-3-[(1-propylpyrrol-2-yl)methylamino]propanamide (PubChem CID 79394241) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-cyclopropyl-3-[(1-propylpyrrol-2-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(1-propylpyrrol-2-yl)methylamino]propanamide
PubChem CID79394241
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-cyclopropyl-3-[(1-propylpyrrol-2-yl)methylamino]propanamide
SMILESCCCn1cccc1CNCCC(=O)NC1CC1
InChIInChI=1S/C14H23N3O/c1-2-9-17-10-3-4-13(17)11-15-8-7-14(18)16-12-5-6-12/h3-4,10,12,15H,2,5-9,11H2,1H3,(H,16,18)
InChIKeyLPYZOXOGFBLWAB-UHFFFAOYSA-N
XLogP1.66
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-3-[(1-propylpyrrol-2-yl)methylamino]propanamide 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

N-cyclopropyl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66401192
N-cyclopropyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide
CID 78978276
3-[(1-ethylpyrrol-2-yl)methylamino]-N-propylpropanamide
CID 66443625
N-cyclopropyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 63000677
4-[(1-propylpyrrol-2-yl)methylamino]cyclohexane-1-carboxamide
CID 66412930
N-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine
CID 66411473
N-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide
CID 55090993
4-methyl-N-[(1-propylpyrrol-2-yl)methyl]cyclohexan-1-amine
CID 66412264
N-(2-methoxyethyl)-2-[(1-propylpyrrol-2-yl)methylamino]acetamide
CID 113405048
N-cyclopropyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide
CID 79401326
2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide
CID 66402639
N-methyl-2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
CID 66411136

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(1-propylpyrrol-2-yl)methylamino]propanamide?
The IUPAC name of N-cyclopropyl-3-[(1-propylpyrrol-2-yl)methylamino]propanamide (CID 79394241) is N-cyclopropyl-3-[(1-propylpyrrol-2-yl)methylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(1-propylpyrrol-2-yl)methylamino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(1-propylpyrrol-2-yl)methylamino]propanamide is CCCn1cccc1CNCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[(1-propylpyrrol-2-yl)methylamino]propanamide?
The InChIKey is LPYZOXOGFBLWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-9-17-10-3-4-13(17)11-15-8-7-14(18)16-12-5-6-12/h3-4,10,12,15H,2,5-9,11H2,1H3,(H,16,18).
What are the key properties of N-cyclopropyl-3-[(1-propylpyrrol-2-yl)methylamino]propanamide?
N-cyclopropyl-3-[(1-propylpyrrol-2-yl)methylamino]propanamide has a molecular weight of 249.36 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(1-propylpyrrol-2-yl)methylamino]propanamide is sourced from PubChem (CID 79394241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).