N-(3-aminopropyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide

C12H18ClN3O — CID 115318911

IUPACN-(3-aminopropyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide
SMILESCN(CCCN)C(=O)c1cc(Cl)cn1C1CC1
InChIInChI=1S/C12H18ClN3O/c1-15(6-2-5-14)12(17)11-7-9(13)8-16(11)10-3-4-10/h7-8,10H,2-6,14H2,1H3
InChIKeyKWLOSVQCJOGUBA-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.90
Rot. Bonds5

About N-(3-aminopropyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide

N-(3-aminopropyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide (PubChem CID 115318911) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide
PubChem CID115318911
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC NameN-(3-aminopropyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide
SMILESCN(CCCN)C(=O)c1cc(Cl)cn1C1CC1
InChIInChI=1S/C12H18ClN3O/c1-15(6-2-5-14)12(17)11-7-9(13)8-16(11)10-3-4-10/h7-8,10H,2-6,14H2,1H3
InChIKeyKWLOSVQCJOGUBA-UHFFFAOYSA-N
XLogP1.90
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-aminopropyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide (CID 115318911) is N-(3-aminopropyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide is CN(CCCN)C(=O)c1cc(Cl)cn1C1CC1.
What is the InChIKey of N-(3-aminopropyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide?
The InChIKey is KWLOSVQCJOGUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-15(6-2-5-14)12(17)11-7-9(13)8-16(11)10-3-4-10/h7-8,10H,2-6,14H2,1H3.
What are the key properties of N-(3-aminopropyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide?
N-(3-aminopropyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide has a molecular weight of 255.75 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide is sourced from PubChem (CID 115318911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).