N-(3-aminobutyl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride

C15H20ClN3O — CID 119497081

IUPACN-(3-aminobutyl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)c1ccc(-c2ccccc2)[nH]1.Cl
InChIInChI=1S/C15H19N3O.ClH/c1-11(16)9-10-17-15(19)14-8-7-13(18-14)12-5-3-2-4-6-12;/h2-8,11,18H,9-10,16H2,1H3,(H,17,19);1H
InChIKeyBRGHFYBGOZTBNN-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.57
Rot. Bonds5

About N-(3-aminobutyl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride

N-(3-aminobutyl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 119497081) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is N-(3-aminobutyl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID119497081
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC NameN-(3-aminobutyl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)c1ccc(-c2ccccc2)[nH]1.Cl
InChIInChI=1S/C15H19N3O.ClH/c1-11(16)9-10-17-15(19)14-8-7-13(18-14)12-5-3-2-4-6-12;/h2-8,11,18H,9-10,16H2,1H3,(H,17,19);1H
InChIKeyBRGHFYBGOZTBNN-UHFFFAOYSA-N
XLogP2.57
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119431690
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CID 99774230
5-phenyl-N-(3-piperazin-1-ylpropyl)-1H-pyrrole-2-carboxamide;hydrochloride
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N-(3-aminobutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
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CID 119495246
N-(3-aminobutyl)-3-phenylthiophene-2-carboxamide
CID 119497469
N-(3-aminobutyl)-2,4,6-trifluorobenzamide;hydrochloride
CID 119497329
N-(3-aminobutyl)-4-methylbenzamide;hydrochloride
CID 119497304
N-(3-aminobutyl)-2-phenyl-1,3-thiazole-5-carboxamide
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N-(3-aminobutyl)-1-benzothiophene-2-carboxamide
CID 63253981
1,2-bis(5-phenyl-1H-pyrrol-2-yl)ethane-1,2-dione;hydrate
CID 139189346

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride (CID 119497081) is N-(3-aminobutyl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride is CC(N)CCNC(=O)c1ccc(-c2ccccc2)[nH]1.Cl.
What is the InChIKey of N-(3-aminobutyl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is BRGHFYBGOZTBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O.ClH/c1-11(16)9-10-17-15(19)14-8-7-13(18-14)12-5-3-2-4-6-12;/h2-8,11,18H,9-10,16H2,1H3,(H,17,19);1H.
What are the key properties of N-(3-aminobutyl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride?
N-(3-aminobutyl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 293.80 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119497081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).