4-chloro-N-[2-(cyclopropylamino)ethyl]-1-methylpyrrole-2-carboxamide

C11H16ClN3O — CID 62665276

IUPAC4-chloro-N-[2-(cyclopropylamino)ethyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)NCCNC1CC1
InChIInChI=1S/C11H16ClN3O/c1-15-7-8(12)6-10(15)11(16)14-5-4-13-9-2-3-9/h6-7,9,13H,2-5H2,1H3,(H,14,16)
InChIKeyLJUWTEXFNYBOEE-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.16
Rot. Bonds5

About 4-chloro-N-[2-(cyclopropylamino)ethyl]-1-methylpyrrole-2-carboxamide

4-chloro-N-[2-(cyclopropylamino)ethyl]-1-methylpyrrole-2-carboxamide (PubChem CID 62665276) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-N-[2-(cyclopropylamino)ethyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(cyclopropylamino)ethyl]-1-methylpyrrole-2-carboxamide
PubChem CID62665276
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-chloro-N-[2-(cyclopropylamino)ethyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)NCCNC1CC1
InChIInChI=1S/C11H16ClN3O/c1-15-7-8(12)6-10(15)11(16)14-5-4-13-9-2-3-9/h6-7,9,13H,2-5H2,1H3,(H,14,16)
InChIKeyLJUWTEXFNYBOEE-UHFFFAOYSA-N
XLogP1.16
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.16
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

N-(4-aminocyclohexyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 79113868
4-chloro-N-(4-hydroxybutyl)-1-methylpyrrole-2-carboxamide
CID 106843318
4-chloro-1-cyclopropyl-N-[3-(cyclopropylamino)propyl]pyrrole-2-carboxamide
CID 43640351
2-N-[2-(cycloheptylamino)ethyl]-1-methylpyrrole-2,4-dicarboxamide;hydrochloride
CID 119621202
4-chloro-1-methyl-N-(2-sulfamoylethyl)pyrrole-2-carboxamide
CID 61066534
4-chloro-1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide
CID 79688807
4-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-methylpyrrole-2-carboxamide
CID 113264624
4-chloro-N'-(cyclobutanecarbonyl)-1-methylpyrrole-2-carbohydrazide
CID 42573577
4-chloro-1-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrrole-2-carboxamide
CID 107487479
2-[[2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43465535
4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrrole-2-carboxamide
CID 113294464
4-chloro-1-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 64545994

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(cyclopropylamino)ethyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-(cyclopropylamino)ethyl]-1-methylpyrrole-2-carboxamide (CID 62665276) is 4-chloro-N-[2-(cyclopropylamino)ethyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(cyclopropylamino)ethyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(cyclopropylamino)ethyl]-1-methylpyrrole-2-carboxamide is Cn1cc(Cl)cc1C(=O)NCCNC1CC1.
What is the InChIKey of 4-chloro-N-[2-(cyclopropylamino)ethyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is LJUWTEXFNYBOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-15-7-8(12)6-10(15)11(16)14-5-4-13-9-2-3-9/h6-7,9,13H,2-5H2,1H3,(H,14,16).
What are the key properties of 4-chloro-N-[2-(cyclopropylamino)ethyl]-1-methylpyrrole-2-carboxamide?
4-chloro-N-[2-(cyclopropylamino)ethyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 241.72 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(cyclopropylamino)ethyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 62665276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).