N-[3-(methylamino)propyl]-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride

C15H20ClN3O — CID 119431690

IUPACN-[3-(methylamino)propyl]-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCNCCCNC(=O)c1ccc(-c2ccccc2)[nH]1.Cl
InChIInChI=1S/C15H19N3O.ClH/c1-16-10-5-11-17-15(19)14-9-8-13(18-14)12-6-3-2-4-7-12;/h2-4,6-9,16,18H,5,10-11H2,1H3,(H,17,19);1H
InChIKeyLIYBEIQDEMNYHB-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.44
Rot. Bonds6

About N-[3-(methylamino)propyl]-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride

N-[3-(methylamino)propyl]-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 119431690) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID119431690
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC NameN-[3-(methylamino)propyl]-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCNCCCNC(=O)c1ccc(-c2ccccc2)[nH]1.Cl
InChIInChI=1S/C15H19N3O.ClH/c1-16-10-5-11-17-15(19)14-9-8-13(18-14)12-6-3-2-4-7-12;/h2-4,6-9,16,18H,5,10-11H2,1H3,(H,17,19);1H
InChIKeyLIYBEIQDEMNYHB-UHFFFAOYSA-N
XLogP2.44
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(methylamino)propyl]-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride 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-aminobutyl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 119497081
N-[2-[(R)-methylsulfinyl]ethyl]-5-phenyl-1H-pyrrole-2-carboxamide
CID 99774230
5-phenyl-N-(3-piperazin-1-ylpropyl)-1H-pyrrole-2-carboxamide;hydrochloride
CID 119392506
2-acetyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429539
N-[3-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 119430331
1,2-bis(5-phenyl-1H-pyrrol-2-yl)ethane-1,2-dione;hydrate
CID 139189346
N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 43600591
3-methyl-2-[(5-phenyl-1H-pyrrole-2-carbonyl)amino]butanoic acid
CID 119170464
N-[3-(methylamino)propyl]-5-phenoxyfuran-2-carboxamide
CID 119431846
N-[3-(methylamino)propyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole-5-carboxamide;hydrochloride
CID 11372206
N-(2-methylpiperidin-4-yl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 120600855
N-[2-[3-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 119432544

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride (CID 119431690) is N-[3-(methylamino)propyl]-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride is CNCCCNC(=O)c1ccc(-c2ccccc2)[nH]1.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is LIYBEIQDEMNYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O.ClH/c1-16-10-5-11-17-15(19)14-9-8-13(18-14)12-6-3-2-4-7-12;/h2-4,6-9,16,18H,5,10-11H2,1H3,(H,17,19);1H.
What are the key properties of N-[3-(methylamino)propyl]-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride?
N-[3-(methylamino)propyl]-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 293.80 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119431690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).