N-(3-aminopropyl)-4-chloro-1-ethylpyrrole-2-carboxamide

C10H16ClN3O — CID 62267384

IUPACN-(3-aminopropyl)-4-chloro-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)NCCCN
InChIInChI=1S/C10H16ClN3O/c1-2-14-7-8(11)6-9(14)10(15)13-5-3-4-12/h6-7H,2-5,12H2,1H3,(H,13,15)
InChIKeyXOLBYGOBMGDOOC-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.24
Rot. Bonds5

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

N-(3-aminopropyl)-4-chloro-1-ethylpyrrole-2-carboxamide (PubChem CID 62267384) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-chloro-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-chloro-1-ethylpyrrole-2-carboxamide
PubChem CID62267384
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC NameN-(3-aminopropyl)-4-chloro-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)NCCCN
InChIInChI=1S/C10H16ClN3O/c1-2-14-7-8(11)6-9(14)10(15)13-5-3-4-12/h6-7H,2-5,12H2,1H3,(H,13,15)
InChIKeyXOLBYGOBMGDOOC-UHFFFAOYSA-N
XLogP1.24
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.24
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

4-chloro-1-ethyl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide
CID 61132430
4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1-ethylpyrrole-2-carboxamide
CID 114153098
4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 43639802
4-chloro-1-ethyl-N-[2-methyl-3-(methylamino)propyl]pyrrole-2-carboxamide
CID 113282529
4-chloro-N-hex-5-ynyl-1-propylpyrrole-2-carboxamide
CID 106209755
3-[[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid
CID 81066132
N-(5-amino-5-oxopentyl)-4-bromo-1-ethylpyrrole-2-carboxamide
CID 113347877
4-chloro-1-ethyl-N-[(3-hydroxyphenyl)methyl]pyrrole-2-carboxamide
CID 54903799
4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-ethylpyrrole-2-carboxamide
CID 106143135
N-(5-amino-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 43639503
3-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]butanoic acid
CID 43639447
4-chloro-1-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 62379148

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-chloro-1-ethylpyrrole-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)-4-chloro-1-ethylpyrrole-2-carboxamide (CID 62267384) is N-(3-aminopropyl)-4-chloro-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-4-chloro-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-4-chloro-1-ethylpyrrole-2-carboxamide is CCn1cc(Cl)cc1C(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-4-chloro-1-ethylpyrrole-2-carboxamide?
The InChIKey is XOLBYGOBMGDOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-2-14-7-8(11)6-9(14)10(15)13-5-3-4-12/h6-7H,2-5,12H2,1H3,(H,13,15).
What are the key properties of N-(3-aminopropyl)-4-chloro-1-ethylpyrrole-2-carboxamide?
N-(3-aminopropyl)-4-chloro-1-ethylpyrrole-2-carboxamide has a molecular weight of 229.71 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-chloro-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 62267384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).