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

C25H26FN3O — CID 162717058

IUPAC[6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanone
SMILESNCc1ccc(C2CC2)c(C(=O)C2CCC(c3ccnc4ccc(F)cc34)CC2)n1
InChIInChI=1S/C25H26FN3O/c26-18-7-10-23-22(13-18)20(11-12-28-23)15-3-5-17(6-4-15)25(30)24-21(16-1-2-16)9-8-19(14-27)29-24/h7-13,15-17H,1-6,14,27H2
InChIKeyMNSIEDWHSQOTEK-UHFFFAOYSA-N
MW403.50 g/mol
LogP5.26
Rot. Bonds5

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

[6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanone (PubChem CID 162717058) has the molecular formula C25H26FN3O and a molecular weight of 403.50 g/mol. Its IUPAC name is [6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanone.

Molecular Properties

Compound Name[6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanone
PubChem CID162717058
Molecular FormulaC25H26FN3O
Molecular Weight403.50 g/mol
Exact Mass403.21
IUPAC Name[6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanone
SMILESNCc1ccc(C2CC2)c(C(=O)C2CCC(c3ccnc4ccc(F)cc34)CC2)n1
InChIInChI=1S/C25H26FN3O/c26-18-7-10-23-22(13-18)20(11-12-28-23)15-3-5-17(6-4-15)25(30)24-21(16-1-2-16)9-8-19(14-27)29-24/h7-13,15-17H,1-6,14,27H2
InChIKeyMNSIEDWHSQOTEK-UHFFFAOYSA-N
XLogP5.26
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.50
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

[5-cyclopropyl-6-[4-(6-fluoroquinolin-4-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl carbamate
CID 175215846
[5-cyclopropyl-6-(4-quinolin-4-ylcyclohexanecarbonyl)-2-pyridinyl]methyl carbamate
CID 175211489
4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564
ethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine
CID 142561485
[6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(4-bromophenyl)cyclohexyl]methanone
CID 134381366
(3-cyclopropyl-6-ethyl-2-pyridinyl)-[4-(3-fluorophenyl)cyclohexyl]methanone
CID 157246275
N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclopropanecarboxamide
CID 142556941
N-[(4-chlorophenyl)methyl]-4-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxamide
CID 121318796
1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid
CID 138577002
[5-cyclopropyl-6-[4-(4-fluoronaphthalen-1-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl carbamate
CID 175210831
2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid
CID 138687677
4-[4-(2-tert-butylcyclopropyl)cyclohexyl]-6-fluoroquinoline
CID 175384912

Frequently Asked Questions

What is the IUPAC name of [6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanone?
The IUPAC name of [6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanone (CID 162717058) is [6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanone.
What is the SMILES notation for [6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanone?
The canonical SMILES for [6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanone is NCc1ccc(C2CC2)c(C(=O)C2CCC(c3ccnc4ccc(F)cc34)CC2)n1.
What is the InChIKey of [6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanone?
The InChIKey is MNSIEDWHSQOTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O/c26-18-7-10-23-22(13-18)20(11-12-28-23)15-3-5-17(6-4-15)25(30)24-21(16-1-2-16)9-8-19(14-27)29-24/h7-13,15-17H,1-6,14,27H2.
What are the key properties of [6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanone?
[6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanone has a molecular weight of 403.50 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanone is sourced from PubChem (CID 162717058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).