N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-1H-pyrrole-2-carboxamide;hydrochloride

C12H17Cl2N3O — CID 119455226

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC(C1)N2)c1cc(Cl)c[nH]1
InChIInChI=1S/C12H16ClN3O.ClH/c13-7-3-11(14-6-7)12(17)16-10-4-8-1-2-9(5-10)15-8;/h3,6,8-10,14-15H,1-2,4-5H2,(H,16,17);1H
InChIKeyLLCNAHASKOYWNC-UHFFFAOYSA-N
MW290.19 g/mol
LogP2.10
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-1H-pyrrole-2-carboxamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 119455226) has the molecular formula C12H17Cl2N3O and a molecular weight of 290.19 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID119455226
Molecular FormulaC12H17Cl2N3O
Molecular Weight290.19 g/mol
Exact Mass289.07
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC(C1)N2)c1cc(Cl)c[nH]1
InChIInChI=1S/C12H16ClN3O.ClH/c13-7-3-11(14-6-7)12(17)16-10-4-8-1-2-9(5-10)15-8;/h3,6,8-10,14-15H,1-2,4-5H2,(H,16,17);1H
InChIKeyLLCNAHASKOYWNC-UHFFFAOYSA-N
XLogP2.10
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-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-(8-azabicyclo[3.2.1]octan-3-yl)-4-iodo-1H-pyrrole-2-carboxamide;hydrochloride
CID 119457865
4-chloro-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 106995370
(2S,4S)-4-[(4-chloro-1H-pyrrole-2-carbonyl)amino]pyrrolidine-2-carboxylic acid
CID 119064986
N-(azepan-4-yl)-4-chloro-1H-pyrrole-2-carboxamide
CID 105060146
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,5-dichlorothiophene-3-carboxamide
CID 103805907
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide
CID 61238974
4-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 18121095
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-chlorobenzamide;hydrochloride
CID 119459232
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide;hydrochloride
CID 119457267
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119456298
4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide
CID 47342565
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chlorofuran-2-carboxamide
CID 61237544

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-1H-pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-1H-pyrrole-2-carboxamide;hydrochloride (CID 119455226) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-1H-pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-1H-pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-1H-pyrrole-2-carboxamide;hydrochloride is Cl.O=C(NC1CC2CCC(C1)N2)c1cc(Cl)c[nH]1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is LLCNAHASKOYWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O.ClH/c13-7-3-11(14-6-7)12(17)16-10-4-8-1-2-9(5-10)15-8;/h3,6,8-10,14-15H,1-2,4-5H2,(H,16,17);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-1H-pyrrole-2-carboxamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 290.19 g/mol, XLogP of 2.10, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119455226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).