[6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(4-bromophenyl)cyclohexyl]methanone

C22H25BrN2O — CID 134381366

IUPAC[6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(4-bromophenyl)cyclohexyl]methanone
SMILESNCc1ccc(C2CC2)c(C(=O)C2CCC(c3ccc(Br)cc3)CC2)n1
InChIInChI=1S/C22H25BrN2O/c23-18-9-7-15(8-10-18)14-1-5-17(6-2-14)22(26)21-20(16-3-4-16)12-11-19(13-24)25-21/h7-12,14,16-17H,1-6,13,24H2
InChIKeyLNVJZJUSFXZJCS-UHFFFAOYSA-N
MW413.36 g/mol
LogP5.34
Rot. Bonds5

About [6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(4-bromophenyl)cyclohexyl]methanone

[6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(4-bromophenyl)cyclohexyl]methanone (PubChem CID 134381366) has the molecular formula C22H25BrN2O and a molecular weight of 413.36 g/mol. Its IUPAC name is [6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(4-bromophenyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(4-bromophenyl)cyclohexyl]methanone
PubChem CID134381366
Molecular FormulaC22H25BrN2O
Molecular Weight413.36 g/mol
Exact Mass412.12
IUPAC Name[6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(4-bromophenyl)cyclohexyl]methanone
SMILESNCc1ccc(C2CC2)c(C(=O)C2CCC(c3ccc(Br)cc3)CC2)n1
InChIInChI=1S/C22H25BrN2O/c23-18-9-7-15(8-10-18)14-1-5-17(6-2-14)22(26)21-20(16-3-4-16)12-11-19(13-24)25-21/h7-12,14,16-17H,1-6,13,24H2
InChIKeyLNVJZJUSFXZJCS-UHFFFAOYSA-N
XLogP5.34
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.36
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(4-bromophenyl)cyclohexyl]methanone with MolForge

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Related Compounds

[4-(4-chlorophenyl)cyclohexyl]-(3-cyclopropyl-6-ethyl-2-pyridinyl)methanone
CID 159396738
[6-(2-aminoiodanuidylethyl)-3-cyclopropyl-2-pyridinyl]-[4-(4-chlorophenyl)cyclohexyl]methanone
CID 153313601
tert-butyl N-[[5-cyclopropyl-6-(4-phenylcyclohexanecarbonyl)-2-pyridinyl]methyl]carbamate
CID 134381262
[5-cyclopropyl-6-[4-(4-fluoronaphthalen-1-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl carbamate
CID 175210831
[5-cyclopropyl-6-[1-[4-(7,8-dihydronaphthalen-2-yl)cyclohexyl]ethenyl]-2-pyridinyl]methanamine
CID 142308121
tert-butyl N-[[5-cyclopropyl-6-[4-[6-(trifluoromethyl)-3-pyridinyl]cyclohexanecarbonyl]-2-pyridinyl]methyl]carbamate
CID 134381173
[5-cyclopropyl-6-(4-quinolin-4-ylcyclohexanecarbonyl)-2-pyridinyl]methyl carbamate
CID 175211489
tert-butyl N-[[5-cyclopropyl-6-[4-[6-(oxetan-3-yloxy)-3-pyridinyl]cyclohexanecarbonyl]-2-pyridinyl]methyl]carbamate
CID 155456100
6-bromo-3-cyclopropylpyridine-2-carboxamide
CID 146404751
[5-cyclopropyl-6-[4-(4-methoxynaphthalen-1-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl N-tert-butylcarbamate
CID 134366364
1-bromo-4-(4-cyclohexylcyclohexyl)benzene
CID 57247187
2-(4-bromophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 79980174

Frequently Asked Questions

What is the IUPAC name of [6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(4-bromophenyl)cyclohexyl]methanone?
The IUPAC name of [6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(4-bromophenyl)cyclohexyl]methanone (CID 134381366) is [6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(4-bromophenyl)cyclohexyl]methanone.
What is the SMILES notation for [6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(4-bromophenyl)cyclohexyl]methanone?
The canonical SMILES for [6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(4-bromophenyl)cyclohexyl]methanone is NCc1ccc(C2CC2)c(C(=O)C2CCC(c3ccc(Br)cc3)CC2)n1.
What is the InChIKey of [6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(4-bromophenyl)cyclohexyl]methanone?
The InChIKey is LNVJZJUSFXZJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN2O/c23-18-9-7-15(8-10-18)14-1-5-17(6-2-14)22(26)21-20(16-3-4-16)12-11-19(13-24)25-21/h7-12,14,16-17H,1-6,13,24H2.
What are the key properties of [6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(4-bromophenyl)cyclohexyl]methanone?
[6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(4-bromophenyl)cyclohexyl]methanone has a molecular weight of 413.36 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(4-bromophenyl)cyclohexyl]methanone is sourced from PubChem (CID 134381366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).