N-(4-bromonaphthalen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine

C18H15BrN2 — CID 102774191

IUPACN-(4-bromonaphthalen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
SMILESBrc1ccc(NC2CCc3cccnc32)c2ccccc12
InChIInChI=1S/C18H15BrN2/c19-15-8-10-16(14-6-2-1-5-13(14)15)21-17-9-7-12-4-3-11-20-18(12)17/h1-6,8,10-11,17,21H,7,9H2
InChIKeyQFSGJRNKBYVAAY-UHFFFAOYSA-N
MW339.24 g/mol
LogP5.10
Rot. Bonds2

About N-(4-bromonaphthalen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine

N-(4-bromonaphthalen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (PubChem CID 102774191) has the molecular formula C18H15BrN2 and a molecular weight of 339.24 g/mol. Its IUPAC name is N-(4-bromonaphthalen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine.

Molecular Properties

Compound NameN-(4-bromonaphthalen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
PubChem CID102774191
Molecular FormulaC18H15BrN2
Molecular Weight339.24 g/mol
Exact Mass338.04
IUPAC NameN-(4-bromonaphthalen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
SMILESBrc1ccc(NC2CCc3cccnc32)c2ccccc12
InChIInChI=1S/C18H15BrN2/c19-15-8-10-16(14-6-2-1-5-13(14)15)21-17-9-7-12-4-3-11-20-18(12)17/h1-6,8,10-11,17,21H,7,9H2
InChIKeyQFSGJRNKBYVAAY-UHFFFAOYSA-N
XLogP5.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.24
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-iodophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 114259315
N-(4-bromo-3-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773903
N-(2-bromo-4,6-difluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102772831
N-(2-bromo-4-methyl-5-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774247
N-(4-bromo-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773966
N-(2-bromo-4-nitrophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078552
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102772891
N-(2,5-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102772549
N-(2-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079351
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-N,3-dimethylbenzamide
CID 102773287
N-(2-methyl-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773148
N-(4-bromonaphthalen-1-yl)oxan-3-amine
CID 113384461

Frequently Asked Questions

What is the IUPAC name of N-(4-bromonaphthalen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The IUPAC name of N-(4-bromonaphthalen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (CID 102774191) is N-(4-bromonaphthalen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine.
What is the SMILES notation for N-(4-bromonaphthalen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The canonical SMILES for N-(4-bromonaphthalen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine is Brc1ccc(NC2CCc3cccnc32)c2ccccc12.
What is the InChIKey of N-(4-bromonaphthalen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The InChIKey is QFSGJRNKBYVAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2/c19-15-8-10-16(14-6-2-1-5-13(14)15)21-17-9-7-12-4-3-11-20-18(12)17/h1-6,8,10-11,17,21H,7,9H2.
What are the key properties of N-(4-bromonaphthalen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
N-(4-bromonaphthalen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine has a molecular weight of 339.24 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromonaphthalen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine is sourced from PubChem (CID 102774191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).