N-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]cyclopropanecarboxamide

C17H21N3O — CID 66400073

IUPACN-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]cyclopropanecarboxamide
SMILESCCn1ccc(CNc2cccc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C17H21N3O/c1-2-20-9-8-13(12-20)11-18-15-4-3-5-16(10-15)19-17(21)14-6-7-14/h3-5,8-10,12,14,18H,2,6-7,11H2,1H3,(H,19,21)
InChIKeyLELTWPGITZXXGF-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.47
Rot. Bonds6

About N-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]cyclopropanecarboxamide

N-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]cyclopropanecarboxamide (PubChem CID 66400073) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]cyclopropanecarboxamide
PubChem CID66400073
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]cyclopropanecarboxamide
SMILESCCn1ccc(CNc2cccc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C17H21N3O/c1-2-20-9-8-13(12-20)11-18-15-4-3-5-16(10-15)19-17(21)14-6-7-14/h3-5,8-10,12,14,18H,2,6-7,11H2,1H3,(H,19,21)
InChIKeyLELTWPGITZXXGF-UHFFFAOYSA-N
XLogP3.47
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]cyclopropanecarboxamide 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-[3-(furan-3-ylmethylamino)phenyl]cyclopropanecarboxamide
CID 63204289
N-[3-[2-(tert-butylamino)ethylamino]phenyl]cyclopropanecarboxamide
CID 107444617
N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
CID 17187554
N-[3-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide
CID 112752545
N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide
CID 61251263
N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide
CID 17204538
N-[3-[3-(ethylamino)propanoylamino]phenyl]cyclopropanecarboxamide
CID 62836488
1-(cyclopropanecarbonyl)-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 26880034
N-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]cyclopropanecarboxamide
CID 43663572
N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 54794417
N-[3-[(ethylsulfonylamino)methyl]phenyl]cyclopropanecarboxamide
CID 47371741
N-[3-[(3-bromofuran-2-yl)methylamino]phenyl]cyclopropanecarboxamide
CID 103698673

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]cyclopropanecarboxamide (CID 66400073) is N-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]cyclopropanecarboxamide is CCn1ccc(CNc2cccc(NC(=O)C3CC3)c2)c1.
What is the InChIKey of N-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is LELTWPGITZXXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-20-9-8-13(12-20)11-18-15-4-3-5-16(10-15)19-17(21)14-6-7-14/h3-5,8-10,12,14,18H,2,6-7,11H2,1H3,(H,19,21).
What are the key properties of N-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]cyclopropanecarboxamide?
N-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 66400073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).